4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide

C23H21N5O2 — CID 44763333

IUPAC4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(C(=O)NCc4ccncc4)cc3)n2)cc1
InChIInChI=1S/C23H21N5O2/c1-30-20-8-4-17(5-9-20)21-14-22(24)28(27-21)19-6-2-18(3-7-19)23(29)26-15-16-10-12-25-13-11-16/h2-14H,15,24H2,1H3,(H,26,29)
InChIKeyJNXQLSNPOCRBGR-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.46
Rot. Bonds6

About 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide

4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide (PubChem CID 44763333) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide
PubChem CID44763333
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide
SMILESCOc1ccc(-c2cc(N)n(-c3ccc(C(=O)NCc4ccncc4)cc3)n2)cc1
InChIInChI=1S/C23H21N5O2/c1-30-20-8-4-17(5-9-20)21-14-22(24)28(27-21)19-6-2-18(3-7-19)23(29)26-15-16-10-12-25-13-11-16/h2-14H,15,24H2,1H3,(H,26,29)
InChIKeyJNXQLSNPOCRBGR-UHFFFAOYSA-N
XLogP3.46
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-amino-3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 44763242
3-(4-fluorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 3940824
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]-4-methoxybenzamide
CID 12018678
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 4518419
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42755424
3-(2-chlorophenyl)-1-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 42759391
N-[(4-methoxyphenyl)methyl]-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
CID 170951274
4-imidazol-1-yl-N-[(4-methoxyphenyl)methyl]benzamide
CID 31533303
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 44763704
3-amino-5-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 81089949
3-(4-methoxyphenyl)-1-(4-methylsulfonylphenyl)pyrazol-5-amine
CID 91872028
N-benzyl-4-[3-(4-methoxyphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323693

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
The IUPAC name of 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide (CID 44763333) is 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide.
What is the SMILES notation for 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
The canonical SMILES for 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide is COc1ccc(-c2cc(N)n(-c3ccc(C(=O)NCc4ccncc4)cc3)n2)cc1.
What is the InChIKey of 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
The InChIKey is JNXQLSNPOCRBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-30-20-8-4-17(5-9-20)21-14-22(24)28(27-21)19-6-2-18(3-7-19)23(29)26-15-16-10-12-25-13-11-16/h2-14H,15,24H2,1H3,(H,26,29).
What are the key properties of 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide?
4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide has a molecular weight of 399.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-3-(4-methoxyphenyl)pyrazol-1-yl]-N-(pyridin-4-ylmethyl)benzamide is sourced from PubChem (CID 44763333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).