3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

C24H25N5O2 — CID 146762671

IUPAC3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C24H25N5O2/c1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-5-7-19(8-6-17)29-9-3-4-10-29/h3-12,30H,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28)
InChIKeyRPSVUKHEGHJWPC-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.82
Rot. Bonds7

About 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide

3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 146762671) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID146762671
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESCc1cc(CNc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc(C)c1O
InChIInChI=1S/C24H25N5O2/c1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-5-7-19(8-6-17)29-9-3-4-10-29/h3-12,30H,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28)
InChIKeyRPSVUKHEGHJWPC-UHFFFAOYSA-N
XLogP3.82
TPSA108.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[4-hydroxy-3-(trifluoromethyl)phenyl]-3-(methylamino)-1H-pyrazol-5-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-5-carboxamide
CID 136089232
N-[N'-[5-(3-fluoro-4-hydroxyphenyl)-1H-pyrazol-3-yl]-N-(4-propan-2-ylphenyl)carbamimidoyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 137104434
3-amino-5-(3-fluoro-2-hydroxyphenyl)-N-[5-(trifluoromethyl)pyridin-2-yl]-1H-pyrazole-4-carboxamide
CID 140862155
5-[[4-(4-fluoropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 146730932
5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 153226201
N-[5-(5-fluoro-2-hydroxyphenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 155106193
5-[(4-fluorophenyl)methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
CID 160400162
1-(2-fluorophenyl)-N-(3-hydroxy-2,4-dimethylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 137986419
3-[(4-hydroxyphenyl)methylamino]-5-(4-pyrazol-1-ylanilino)-1H-pyrazole-4-carboxamide
CID 71765636
3-[(4-hydroxyphenyl)methylamino]-5-[4-(4-methylimidazol-1-yl)anilino]-1H-pyrazole-4-carboxamide
CID 89815800
3-[(4-hydroxyphenyl)methylamino]-5-[4-(1H-pyrazol-5-yl)anilino]-1H-pyrazole-4-carboxamide
CID 89820468
3-[(4-hydroxyphenyl)methylamino]-5-(4-pyridin-2-ylanilino)-1H-pyrazole-4-carboxamide
CID 89820515

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 146762671) is 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(-n4cccc4)cc3)c2C(N)=O)cc(C)c1O.
What is the InChIKey of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RPSVUKHEGHJWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-5-7-19(8-6-17)29-9-3-4-10-29/h3-12,30H,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28).
What are the key properties of 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide?
3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.82, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-pyrrol-1-ylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 146762671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).