N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C18H16N6O — CID 46964446

IUPACN-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCCc1nc2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2[nH]1
InChIInChI=1S/C18H16N6O/c1-2-17-21-13-7-6-11(9-14(13)22-17)20-18(25)16-10-15(23-24-16)12-5-3-4-8-19-12/h3-10H,2H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyIIYIQOCOVKJJAL-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.16
Rot. Bonds4

About N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 46964446) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID46964446
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC NameN-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCCc1nc2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2[nH]1
InChIInChI=1S/C18H16N6O/c1-2-17-21-13-7-6-11(9-14(13)22-17)20-18(25)16-10-15(23-24-16)12-5-3-4-8-19-12/h3-10H,2H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyIIYIQOCOVKJJAL-UHFFFAOYSA-N
XLogP3.16
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576776
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 110204460
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
N-(3-methylsulfanylphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 22576795
N-[3-(1H-benzimidazol-2-yl)propyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 71827608
N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)pyridine-4-carboxamide
CID 53368586
N-[4-[2-(1H-benzimidazol-2-yl)ethyl]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 20930867
N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821160
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110778994
2-methoxy-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)acetamide
CID 56762292
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 146153635

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 46964446) is N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is CCc1nc2ccc(NC(=O)c3cc(-c4ccccn4)n[nH]3)cc2[nH]1.
What is the InChIKey of N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is IIYIQOCOVKJJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-2-17-21-13-7-6-11(9-14(13)22-17)20-18(25)16-10-15(23-24-16)12-5-3-4-8-19-12/h3-10H,2H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-3H-benzimidazol-5-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46964446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).