N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

C17H24N6O2 — CID 56756912

IUPACN-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC2(C(N)=O)CCCC2)n[nH]1
InChIInChI=1S/C17H24N6O2/c1-11(2)14-19-7-8-23(14)10-12-9-13(22-21-12)15(24)20-17(16(18)25)5-3-4-6-17/h7-9,11H,3-6,10H2,1-2H3,(H2,18,25)(H,20,24)(H,21,22)
InChIKeyUJVGRKVBFPVQNF-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.31
Rot. Bonds6

About N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide

N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56756912) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56756912
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1nccn1Cc1cc(C(=O)NC2(C(N)=O)CCCC2)n[nH]1
InChIInChI=1S/C17H24N6O2/c1-11(2)14-19-7-8-23(14)10-12-9-13(22-21-12)15(24)20-17(16(18)25)5-3-4-6-17/h7-9,11H,3-6,10H2,1-2H3,(H2,18,25)(H,20,24)(H,21,22)
InChIKeyUJVGRKVBFPVQNF-UHFFFAOYSA-N
XLogP1.31
TPSA118.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56756912) is N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is CC(C)c1nccn1Cc1cc(C(=O)NC2(C(N)=O)CCCC2)n[nH]1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is UJVGRKVBFPVQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(2)14-19-7-8-23(14)10-12-9-13(22-21-12)15(24)20-17(16(18)25)5-3-4-6-17/h7-9,11H,3-6,10H2,1-2H3,(H2,18,25)(H,20,24)(H,21,22).
What are the key properties of N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide?
N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56756912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).