5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

C20H21N7O — CID 56758151

IUPAC5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C20H21N7O/c1-26(10-14-8-17(24-22-14)13-6-7-13)20(28)18-9-15(23-25-18)11-27-12-21-16-4-2-3-5-19(16)27/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyTWHFJCWOUGDKHB-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.68
Rot. Bonds6

About 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 56758151) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID56758151
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C20H21N7O/c1-26(10-14-8-17(24-22-14)13-6-7-13)20(28)18-9-15(23-25-18)11-27-12-21-16-4-2-3-5-19(16)27/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyTWHFJCWOUGDKHB-UHFFFAOYSA-N
XLogP2.68
TPSA95.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide (CID 56758151) is 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is CN(Cc1cc(C2CC2)n[nH]1)C(=O)c1cc(Cn2cnc3ccccc32)[nH]n1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is TWHFJCWOUGDKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-26(10-14-8-17(24-22-14)13-6-7-13)20(28)18-9-15(23-25-18)11-27-12-21-16-4-2-3-5-19(16)27/h2-5,8-9,12-13H,6-7,10-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56758151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).