N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide

C17H19N5O — CID 3958676

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1cc(NC(=O)C2CCCC2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H19N5O/c1-11-10-15(20-16(23)12-6-2-3-7-12)22(21-11)17-18-13-8-4-5-9-14(13)19-17/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)(H,20,23)
InChIKeyZWCWKOGFSPPIJA-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.19
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide (PubChem CID 3958676) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
PubChem CID3958676
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
SMILESCc1cc(NC(=O)C2CCCC2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H19N5O/c1-11-10-15(20-16(23)12-6-2-3-7-12)22(21-11)17-18-13-8-4-5-9-14(13)19-17/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)(H,20,23)
InChIKeyZWCWKOGFSPPIJA-UHFFFAOYSA-N
XLogP3.19
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide (CID 3958676) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide is Cc1cc(NC(=O)C2CCCC2)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
The InChIKey is ZWCWKOGFSPPIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-11-10-15(20-16(23)12-6-2-3-7-12)22(21-11)17-18-13-8-4-5-9-14(13)19-17/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,18,19)(H,20,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide is sourced from PubChem (CID 3958676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).