1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide

C17H21N5O — CID 35535185

IUPAC1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2nc3ccccc3n2CCC)n1
InChIInChI=1S/C17H21N5O/c1-3-10-21-12-9-14(20-21)16(23)19-17-18-13-7-5-6-8-15(13)22(17)11-4-2/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,19,23)
InChIKeyJXJCHOGSXDBXRY-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.31
Rot. Bonds6

About 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide

1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide (PubChem CID 35535185) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
PubChem CID35535185
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC Name1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)Nc2nc3ccccc3n2CCC)n1
InChIInChI=1S/C17H21N5O/c1-3-10-21-12-9-14(20-21)16(23)19-17-18-13-7-5-6-8-15(13)22(17)11-4-2/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,19,23)
InChIKeyJXJCHOGSXDBXRY-UHFFFAOYSA-N
XLogP3.31
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-6-oxo-N-(1-propylbenzimidazol-2-yl)pyridazine-3-carboxamide
CID 4879642
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-[(3-nitro-1,2,4-triazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19265700
3-chloro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 4800861
5-cyano-N-(1-propylbenzimidazol-2-yl)pyridine-2-carboxamide
CID 167887433
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
3-methyl-N-(1-propylbenzimidazol-2-yl)benzamide
CID 8914480
2-amino-3-methyl-N-(1-propylbenzimidazol-2-yl)butanamide
CID 119265100
2-[2-[(1-propylbenzimidazol-2-yl)carbamoyl]phenyl]sulfanylpropanoic acid
CID 119179376
2,4-difluoro-N-(1-propylbenzimidazol-2-yl)benzamide
CID 40589359
4-(diethylsulfamoyl)-N-(1-propylbenzimidazol-2-yl)benzamide
CID 7408843
N-(1-propylbenzimidazol-2-yl)nonanamide
CID 162645010
N-(1-octylbenzimidazol-2-yl)benzamide
CID 21449929

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide (CID 35535185) is 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide is CCCn1ccc(C(=O)Nc2nc3ccccc3n2CCC)n1.
What is the InChIKey of 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide?
The InChIKey is JXJCHOGSXDBXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-3-10-21-12-9-14(20-21)16(23)19-17-18-13-7-5-6-8-15(13)22(17)11-4-2/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,19,23).
What are the key properties of 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide?
1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(1-propylbenzimidazol-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 35535185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).