5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide

C22H23N5O2 — CID 91638920

IUPAC5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCc2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)27-19-7-5-4-6-18(19)25-20(27)13-23-22(28)17-12-24-26-21(17)15-8-10-16(29-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyUVRYWUZHJCWZQT-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.95
Rot. Bonds6

About 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide

5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 91638920) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID91638920
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)NCc2nc3ccccc3n2C(C)C)cc1
InChIInChI=1S/C22H23N5O2/c1-14(2)27-19-7-5-4-6-18(19)25-20(27)13-23-22(28)17-12-24-26-21(17)15-8-10-16(29-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,23,28)(H,24,26)
InChIKeyUVRYWUZHJCWZQT-UHFFFAOYSA-N
XLogP3.95
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 751074
5-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824377
5-(4-methoxyphenyl)-N-[3-(2-methylpropoxy)propyl]-1H-pyrazole-4-carboxamide
CID 86916114
N-(3-aminopropyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide;hydrochloride
CID 119405997
5-(4-methoxyphenyl)-N-[(2S)-1-methylsulfanylpropan-2-yl]-1H-pyrazole-4-carboxamide
CID 96565233
N-[(3-methoxyphenyl)methyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824643
7-[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]amino]heptanoic acid
CID 119227287
2-[(4-methoxyphenyl)methyl]-1-propan-2-ylbenzimidazole
CID 5016671
5-(4-butoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824584
N-benzyl-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 71824647
2-morpholin-4-yl-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]benzamide
CID 86285259
2-[1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
CID 91821386

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide (CID 91638920) is 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)NCc2nc3ccccc3n2C(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is UVRYWUZHJCWZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(2)27-19-7-5-4-6-18(19)25-20(27)13-23-22(28)17-12-24-26-21(17)15-8-10-16(29-3)11-9-15/h4-12,14H,13H2,1-3H3,(H,23,28)(H,24,26).
What are the key properties of 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide?
5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91638920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).