N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

C17H19FN4O2 — CID 87045985

IUPACN-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)CN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCCC1
InChIInChI=1S/C17H19FN4O2/c18-12-7-5-11(6-8-12)14-9-15(21-20-14)17(24)22(10-16(19)23)13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H2,19,23)(H,20,21)
InChIKeyWRQYNRRXKSAYQW-UHFFFAOYSA-N
MW330.36 g/mol
LogP2.09
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide

N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 87045985) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID87045985
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
SMILESNC(=O)CN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCCC1
InChIInChI=1S/C17H19FN4O2/c18-12-7-5-11(6-8-12)14-9-15(21-20-14)17(24)22(10-16(19)23)13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H2,19,23)(H,20,21)
InChIKeyWRQYNRRXKSAYQW-UHFFFAOYSA-N
XLogP2.09
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide (CID 87045985) is N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is NC(=O)CN(C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)C1CCCC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is WRQYNRRXKSAYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-12-7-5-11(6-8-12)14-9-15(21-20-14)17(24)22(10-16(19)23)13-3-1-2-4-13/h5-9,13H,1-4,10H2,(H2,19,23)(H,20,21).
What are the key properties of N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide?
N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-cyclopentyl-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 87045985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).