5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C18H21N5O — CID 51097092

IUPAC5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCn1c(CN(C)C(=O)c2cc(C3CC3)[nH]n2)nc2ccccc21
InChIInChI=1S/C18H21N5O/c1-3-23-16-7-5-4-6-13(16)19-17(23)11-22(2)18(24)15-10-14(20-21-15)12-8-9-12/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,21)
InChIKeyAQVVJPCQQQZSQO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.93
Rot. Bonds5

About 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 51097092) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID51097092
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCCn1c(CN(C)C(=O)c2cc(C3CC3)[nH]n2)nc2ccccc21
InChIInChI=1S/C18H21N5O/c1-3-23-16-7-5-4-6-13(16)19-17(23)11-22(2)18(24)15-10-14(20-21-15)12-8-9-12/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,21)
InChIKeyAQVVJPCQQQZSQO-UHFFFAOYSA-N
XLogP2.93
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 51096302
2-tert-butylsulfanyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methylacetamide
CID 60597055
N-[3-(1H-benzimidazol-2-yl)propyl]-5-cyclopropyl-N-methyl-1H-pyrazole-3-carboxamide
CID 51097049
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52991285
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966831
5-cyclopropyl-N-methyl-N-(3-phenoxypropyl)-1H-pyrazole-3-carboxamide
CID 38579323
N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-4-oxo-4-phenylbutanamide
CID 51097095
N-methyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-2-carboxamide
CID 16966840
5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
5-(1-ethylpiperidin-4-yl)-1H-pyrazole-3-carboxylic acid
CID 115092279
1,3-bis(1-ethylbenzimidazol-2-yl)propan-2-one
CID 91072390

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 51097092) is 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CCn1c(CN(C)C(=O)c2cc(C3CC3)[nH]n2)nc2ccccc21.
What is the InChIKey of 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is AQVVJPCQQQZSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-23-16-7-5-4-6-13(16)19-17(23)11-22(2)18(24)15-10-14(20-21-15)12-8-9-12/h4-7,10,12H,3,8-9,11H2,1-2H3,(H,20,21).
What are the key properties of 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[(1-ethylbenzimidazol-2-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 51097092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).