3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide

C11H16F2N4O — CID 119792855

IUPAC3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cnn(CC(F)F)c2)C1
InChIInChI=1S/C11H16F2N4O/c12-10(13)6-17-5-9(4-15-17)16-11(18)7-1-2-8(14)3-7/h4-5,7-8,10H,1-3,6,14H2,(H,16,18)
InChIKeyJIJNSMWHTVNPRC-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.21
Rot. Bonds4

About 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide

3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide (PubChem CID 119792855) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
PubChem CID119792855
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2cnn(CC(F)F)c2)C1
InChIInChI=1S/C11H16F2N4O/c12-10(13)6-17-5-9(4-15-17)16-11(18)7-1-2-8(14)3-7/h4-5,7-8,10H,1-3,6,14H2,(H,16,18)
InChIKeyJIJNSMWHTVNPRC-UHFFFAOYSA-N
XLogP1.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide
CID 51078639
cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 56901063
2-acetamido-2-cyclopentyl-N-(1-methylpyrazol-4-yl)acetamide
CID 45817623
(2R)-6-oxo-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]piperidine-2-carboxamide
CID 128255890
(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 164637617
(2S,4R)-4-fluoro-N-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-1-ium-2-carboxamide
CID 167407453
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 168936120
(2S)-2-(4,4-difluorocyclohexyl)-2-(iodosylamino)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 168936166
2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide
CID 169730976
(2S)-2-amino-3,3-dicyclopropyl-N-[1-[2-hydrazinylidene-3-(2,2,2-trifluoroethylimino)propyl]pyrazol-4-yl]propanamide
CID 174117926
(2S)-2-amino-2-(4,4-difluorocyclohexyl)-N-[1-[(2-oxopyrrolidin-3-yl)methyl]pyrazol-4-yl]acetamide;hydrochloride
CID 175914963
2-amino-3-(2,2-difluorospiro[3.3]heptan-6-yl)-N-(1-methylpyrazol-4-yl)propanamide
CID 177043199

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide (CID 119792855) is 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2cnn(CC(F)F)c2)C1.
What is the InChIKey of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
The InChIKey is JIJNSMWHTVNPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-10(13)6-17-5-9(4-15-17)16-11(18)7-1-2-8(14)3-7/h4-5,7-8,10H,1-3,6,14H2,(H,16,18).
What are the key properties of 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide?
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide has a molecular weight of 258.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119792855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).