5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C51H64N10O5 — CID 158077617

IUPAC5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(C4C[C@@H](C)O[C@@H](C)C4)nc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCCCC4)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C26H33N5O3.C25H31N5O2/c1-14-7-19(8-15(2)24(14)32)13-29-26-23(25(27)33)22(30-31-26)11-18-5-6-21(28-12-18)20-9-16(3)34-17(4)10-20;1-16-12-19(13-17(2)23(16)31)15-27-25-22(24(26)32)21(28-29-25)14-18-6-8-20(9-7-18)30-10-4-3-5-11-30/h5-8,12,16-17,20,32H,9-11,13H2,1-4H3,(H2,27,33)(H2,29,30,31);6-9,12-13,31H,3-5,10-11,14-15H2,1-2H3,(H2,26,32)(H2,27,28,29)/t16-,17+,20?;
InChIKeyFMOHHTSHHXOOEQ-KVGSTMTJSA-N
MW897.14 g/mol
LogP8.12
Rot. Bonds14

About 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 158077617) has the molecular formula C51H64N10O5 and a molecular weight of 897.14 g/mol. Its IUPAC name is 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID158077617
Molecular FormulaC51H64N10O5
Molecular Weight897.14 g/mol
Exact Mass896.51
IUPAC Name5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(C4C[C@@H](C)O[C@@H](C)C4)nc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCCCC4)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C26H33N5O3.C25H31N5O2/c1-14-7-19(8-15(2)24(14)32)13-29-26-23(25(27)33)22(30-31-26)11-18-5-6-21(28-12-18)20-9-16(3)34-17(4)10-20;1-16-12-19(13-17(2)23(16)31)15-27-25-22(24(26)32)21(28-29-25)14-18-6-8-20(9-7-18)30-10-4-3-5-11-30/h5-8,12,16-17,20,32H,9-11,13H2,1-4H3,(H2,27,33)(H2,29,30,31);6-9,12-13,31H,3-5,10-11,14-15H2,1-2H3,(H2,26,32)(H2,27,28,29)/t16-,17+,20?;
InChIKeyFMOHHTSHHXOOEQ-KVGSTMTJSA-N
XLogP8.12
TPSA233.42 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500897.14
LogP ≤ 58.12
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-pyridin-2-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410151
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-pyridin-3-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410187
3-((6-((2R,6S)-2,6-dimethyltetrahydro-2H-pyran-4-yl)pyridin-3-yl)amino)-5-((4-hydroxy-3,5-dimethylbenzyl)amino)-1H-pyrazole-4-carboxamide
CID 121410226
5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 121432086
5-[[6-(2,6-dimethyloxan-4-yl)-3-pyridinyl]amino]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 145112231
3-[(4-hydroxy-3-methyl-5-propan-2-ylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
CID 145112236
5-[[6-(2,6-dimethyloxan-4-yl)-3-pyridinyl]amino]-3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 145112246
3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
CID 146526822
3-[(3,5-diethyl-4-hydroxyphenyl)methylamino]-5-(4-pyridin-3-ylanilino)-1H-pyrazole-4-carboxamide
CID 146526827
5-[[6-(2,6-dimethyloxan-4-yl)-3-pyridinyl]amino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 146527211
3-[(3-ethyl-4-hydroxy-5-methylphenyl)methylamino]-5-(4-pyridin-3-ylanilino)-1H-pyrazole-4-carboxamide
CID 146527624
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 146762671

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 158077617) is 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(C4C[C@@H](C)O[C@@H](C)C4)nc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCCCC4)cc3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FMOHHTSHHXOOEQ-KVGSTMTJSA-N. The full InChI is InChI=1S/C26H33N5O3.C25H31N5O2/c1-14-7-19(8-15(2)24(14)32)13-29-26-23(25(27)33)22(30-31-26)11-18-5-6-21(28-12-18)20-9-16(3)34-17(4)10-20;1-16-12-19(13-17(2)23(16)31)15-27-25-22(24(26)32)21(28-29-25)14-18-6-8-20(9-7-18)30-10-4-3-5-11-30/h5-8,12,16-17,20,32H,9-11,13H2,1-4H3,(H2,27,33)(H2,29,30,31);6-9,12-13,31H,3-5,10-11,14-15H2,1-2H3,(H2,26,32)(H2,27,28,29)/t16-,17+,20?;.
What are the key properties of 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 897.14 g/mol, XLogP of 8.12, 14 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(2S,6R)-2,6-dimethyloxan-4-yl]-3-pyridinyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158077617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).