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

C23H28N6O3 — CID 158834110

IUPAC3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cn3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C23H28N6O3/c1-14-9-16(10-15(2)21(14)30)12-26-23-20(22(24)31)19(27-28-23)11-17-3-4-18(13-25-17)29-5-7-32-8-6-29/h3-4,9-10,13,30H,5-8,11-12H2,1-2H3,(H2,24,31)(H2,26,27,28)
InChIKeyIXKKFQUACYZQJM-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.27
Rot. Bonds7

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

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 158834110) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID158834110
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cn3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C23H28N6O3/c1-14-9-16(10-15(2)21(14)30)12-26-23-20(22(24)31)19(27-28-23)11-17-3-4-18(13-25-17)29-5-7-32-8-6-29/h3-4,9-10,13,30H,5-8,11-12H2,1-2H3,(H2,24,31)(H2,26,27,28)
InChIKeyIXKKFQUACYZQJM-UHFFFAOYSA-N
XLogP2.27
TPSA129.39 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

N-{1-[3-(4-Methoxyphenyl)-1H-pyrazol-5-YL]piperidin-3-YL}-6-methylpyridine-3-carboxamide
CID 91887976
5-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 158621109
3-[(2-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 71765520
5-((4-hydroxybenzyl)amino)-3-((6-morpholinopyridin-3-yl)amino)-1H-pyrazole-4-carboxamide
CID 89820446
3-[(4-hydroxyphenyl)methylamino]-5-(pyridin-3-ylamino)-1H-pyrazole-4-carboxamide
CID 89820490
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 121410146
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-[[5-methyl-6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
CID 121410162
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]amino]-1H-pyrazole-4-carboxamide
CID 121410163
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-(4-pyridin-3-ylanilino)-1H-pyrazole-4-carboxamide
CID 121410187
5-((4-hydroxy-3,5-dimethylbenzyl)amino)-3-((5-(piperidin-1-yl)pyridin-2-yl)amino)-1H-pyrazole-4-carboxamide
CID 121410200
5-((4-hydroxy-3,5-dimethylbenzyl)amino)-3-((6-(4-(pyrrolidin-1-yl)piperidin-1-yl)pyridin-3-yl)amino)-1H-pyrazole-4-carboxamide
CID 121410201

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide (CID 158834110) is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cn3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is IXKKFQUACYZQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-14-9-16(10-15(2)21(14)30)12-26-23-20(22(24)31)19(27-28-23)11-17-3-4-18(13-25-17)29-5-7-32-8-6-29/h3-4,9-10,13,30H,5-8,11-12H2,1-2H3,(H2,24,31)(H2,26,27,28).
What are the key properties of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 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-morpholin-4-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 158834110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).