N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide

C21H19N5O2 — CID 72922589

IUPACN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCOc1cccc(-n2cc(CNC(=O)c3ccc(-c4ccn[nH]4)cc3)cn2)c1
InChIInChI=1S/C21H19N5O2/c1-28-19-4-2-3-18(11-19)26-14-15(13-24-26)12-22-21(27)17-7-5-16(6-8-17)20-9-10-23-25-20/h2-11,13-14H,12H2,1H3,(H,22,27)(H,23,25)
InChIKeyYMZVCMGYQKVYOV-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.20
Rot. Bonds6

About N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide

N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide (PubChem CID 72922589) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
PubChem CID72922589
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC NameN-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide
SMILESCOc1cccc(-n2cc(CNC(=O)c3ccc(-c4ccn[nH]4)cc3)cn2)c1
InChIInChI=1S/C21H19N5O2/c1-28-19-4-2-3-18(11-19)26-14-15(13-24-26)12-22-21(27)17-7-5-16(6-8-17)20-9-10-23-25-20/h2-11,13-14H,12H2,1H3,(H,22,27)(H,23,25)
InChIKeyYMZVCMGYQKVYOV-UHFFFAOYSA-N
XLogP3.20
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)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

5-(2-fluorophenyl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-1H-pyrazole-4-carboxamide
CID 119060130
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]acetamide
CID 131935325
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 131945038
4-methoxy-N-[2-oxo-2-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]ethyl]benzamide
CID 55840954
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154911334
(2S)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97138809
3-methoxy-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 134000530
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111251127
3-methoxy-N-[4-(1H-pyrazol-5-yl)phenyl]benzamide
CID 38779477
(2R)-N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-2-methyl-1,4-oxazepane-4-carboxamide
CID 126446890
5-acetyl-N-[1-[2-[[1-(3-methoxyphenyl)pyrazol-4-yl]methylamino]-2-oxoethyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 42368417

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
The IUPAC name of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide (CID 72922589) is N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide.
What is the SMILES notation for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
The canonical SMILES for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide is COc1cccc(-n2cc(CNC(=O)c3ccc(-c4ccn[nH]4)cc3)cn2)c1.
What is the InChIKey of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
The InChIKey is YMZVCMGYQKVYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-28-19-4-2-3-18(11-19)26-14-15(13-24-26)12-22-21(27)17-7-5-16(6-8-17)20-9-10-23-25-20/h2-11,13-14H,12H2,1H3,(H,22,27)(H,23,25).
What are the key properties of N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide?
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide has a molecular weight of 373.42 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-pyrazol-5-yl)benzamide is sourced from PubChem (CID 72922589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).