3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide

C23H29N7O2 — CID 121410200

IUPAC3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Nc3ccc(N4CCCCC4)cn3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C23H29N7O2/c1-14-10-16(11-15(2)20(14)31)12-26-22-19(21(24)32)23(29-28-22)27-18-7-6-17(13-25-18)30-8-4-3-5-9-30/h6-7,10-11,13,31H,3-5,8-9,12H2,1-2H3,(H2,24,32)(H3,25,26,27,28,29)
InChIKeyLQVSBKUJZABHBG-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.57
Rot. Bonds7

About 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 121410200) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
PubChem CID121410200
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Nc3ccc(N4CCCCC4)cn3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C23H29N7O2/c1-14-10-16(11-15(2)20(14)31)12-26-22-19(21(24)32)23(29-28-22)27-18-7-6-17(13-25-18)30-8-4-3-5-9-30/h6-7,10-11,13,31H,3-5,8-9,12H2,1-2H3,(H2,24,32)(H3,25,26,27,28,29)
InChIKeyLQVSBKUJZABHBG-UHFFFAOYSA-N
XLogP3.57
TPSA132.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.57
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 121432052
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 153252608
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 121410250
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-sulfamoylanilino)-1H-pyrazole-4-carboxamide
CID 121410239
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(6-morpholin-4-yl-1,2-dihydropyridin-3-yl)amino]-1H-pyrazole-4-carboxamide
CID 146527621
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 146762671
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide
CID 161123077
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 71765303
3-[(3,5-diethyl-4-hydroxyphenyl)methylamino]-5-[4-[4-(morpholine-4-carbonyl)piperazin-1-yl]anilino]-1H-pyrazole-4-carboxamide
CID 146526816
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-propan-2-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 121432088
5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 160863638
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide (CID 121410200) is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Nc3ccc(N4CCCCC4)cn3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is LQVSBKUJZABHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-14-10-16(11-15(2)20(14)31)12-26-22-19(21(24)32)23(29-28-22)27-18-7-6-17(13-25-18)30-8-4-3-5-9-30/h6-7,10-11,13,31H,3-5,8-9,12H2,1-2H3,(H2,24,32)(H3,25,26,27,28,29).
What are the key properties of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121410200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).