N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

C17H19FN4O2 — CID 51090234

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1
InChIInChI=1S/C17H19FN4O2/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)16(24)21-14-9-20-22(10-14)11-15(19)23/h3-6,9-10H,1-2,7-8,11H2,(H2,19,23)(H,21,24)
InChIKeyKBWCLFNMMRGSPS-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.96
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (PubChem CID 51090234) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
PubChem CID51090234
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1
InChIInChI=1S/C17H19FN4O2/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)16(24)21-14-9-20-22(10-14)11-15(19)23/h3-6,9-10H,1-2,7-8,11H2,(H2,19,23)(H,21,24)
InChIKeyKBWCLFNMMRGSPS-UHFFFAOYSA-N
XLogP1.96
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3,4-dimethoxyphenyl)ethyl]pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 3861884
1-(aminomethyl)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 81489718
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
N-(1-tert-butylpyrazol-4-yl)-1-(4-fluorophenyl)cyclopropane-1-carboxamide
CID 56821455
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-3-propylpyrrolidine-3-carboxamide
CID 63139510
N-(4-bromophenyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110439174
N-[[4-(carbamoylamino)phenyl]methyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 55523814
1-(4-chlorophenyl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 52718261
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
2-[[2-[4-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224606
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-fluorophenyl)morpholine-4-carboxamide
CID 95134155

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide (CID 51090234) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is NC(=O)Cn1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
The InChIKey is KBWCLFNMMRGSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-13-5-3-12(4-6-13)17(7-1-2-8-17)16(24)21-14-9-20-22(10-14)11-15(19)23/h3-6,9-10H,1-2,7-8,11H2,(H2,19,23)(H,21,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 51090234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).