N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

C16H17FN4O2 — CID 74243439

IUPACN-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)C1(NC(=O)c2cc(-c3ccccc3F)n[nH]2)CCCC1
InChIInChI=1S/C16H17FN4O2/c17-11-6-2-1-5-10(11)12-9-13(21-20-12)14(22)19-16(15(18)23)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyCOUARAGGCWDXFU-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.74
Rot. Bonds4

About N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 74243439) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID74243439
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)C1(NC(=O)c2cc(-c3ccccc3F)n[nH]2)CCCC1
InChIInChI=1S/C16H17FN4O2/c17-11-6-2-1-5-10(11)12-9-13(21-20-12)14(22)19-16(15(18)23)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H2,18,23)(H,19,22)(H,20,21)
InChIKeyCOUARAGGCWDXFU-UHFFFAOYSA-N
XLogP1.74
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 74243439) is N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is NC(=O)C1(NC(=O)c2cc(-c3ccccc3F)n[nH]2)CCCC1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is COUARAGGCWDXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-11-6-2-1-5-10(11)12-9-13(21-20-12)14(22)19-16(15(18)23)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8H2,(H2,18,23)(H,19,22)(H,20,21).
What are the key properties of N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 74243439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).