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

C21H25N7O2 — CID 121432052

IUPAC3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C21H25N7O2/c22-19(30)18-20(24-12-14-4-7-16(29)8-5-14)26-27-21(18)25-17-9-6-15(13-23-17)28-10-2-1-3-11-28/h4-9,13,29H,1-3,10-12H2,(H2,22,30)(H3,23,24,25,26,27)
InChIKeyLIGIMJRGIFNJFO-UHFFFAOYSA-N
MW407.48 g/mol
LogP2.96
Rot. Bonds7

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

3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide (PubChem CID 121432052) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
PubChem CID121432052
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(N2CCCCC2)cn1
InChIInChI=1S/C21H25N7O2/c22-19(30)18-20(24-12-14-4-7-16(29)8-5-14)26-27-21(18)25-17-9-6-15(13-23-17)28-10-2-1-3-11-28/h4-9,13,29H,1-3,10-12H2,(H2,22,30)(H3,23,24,25,26,27)
InChIKeyLIGIMJRGIFNJFO-UHFFFAOYSA-N
XLogP2.96
TPSA132.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 52.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 121410200
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-pyrrolidin-1-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 71765303
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-propan-2-ylpiperidin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 121432088
3-[(4-hydroxyphenyl)methylamino]-5-(4-pyrazol-1-ylanilino)-1H-pyrazole-4-carboxamide
CID 71765636
5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 158402934
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-piperidin-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 153252608
5-(3-chloroanilino)-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]-1H-pyrazole-4-carboxamide
CID 71765444
5-[3-chloro-4-(4-propan-2-ylpiperazin-1-yl)anilino]-3-[(4-hydroxyphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 121432035
1-amino-N-(5-piperidin-1-yl-2-pyridinyl)cyclohexane-1-carboxamide
CID 119855685
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[4-(4-pyrimidin-2-ylpiperazin-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 121410250
3-[(4-hydroxyphenyl)methylamino]-5-[4-[(2-methylbenzoyl)amino]anilino]-1H-pyrazole-4-carboxamide
CID 145112264
N-[(4-methylsulfinylphenyl)methyl]-5-piperidin-1-ylpyridin-2-amine
CID 71914515

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide (CID 121432052) is 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide is NC(=O)c1c(NCc2ccc(O)cc2)n[nH]c1Nc1ccc(N2CCCCC2)cn1.
What is the InChIKey of 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
The InChIKey is LIGIMJRGIFNJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c22-19(30)18-20(24-12-14-4-7-16(29)8-5-14)26-27-21(18)25-17-9-6-15(13-23-17)28-10-2-1-3-11-28/h4-9,13,29H,1-3,10-12H2,(H2,22,30)(H3,23,24,25,26,27).
What are the key properties of 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide has a molecular weight of 407.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxyphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)amino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 121432052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).