2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide

C10H16F2N4O — CID 119328796

IUPAC2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
SMILESCCCC(N)C(=O)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N4O/c1-2-3-8(13)10(17)15-7-4-14-16(5-7)6-9(11)12/h4-5,8-9H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyRJDFEBVQVHYPLK-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.21
Rot. Bonds6

About 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide

2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide (PubChem CID 119328796) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
PubChem CID119328796
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
SMILESCCCC(N)C(=O)Nc1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N4O/c1-2-3-8(13)10(17)15-7-4-14-16(5-7)6-9(11)12/h4-5,8-9H,2-3,6,13H2,1H3,(H,15,17)
InChIKeyRJDFEBVQVHYPLK-UHFFFAOYSA-N
XLogP1.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[1-(2-methoxyethyl)pyrazol-4-yl]pentanamide;hydrochloride
CID 119292254
2-[4-(2-aminohexanoylamino)pyrazol-1-yl]acetic acid
CID 61285745
(2R)-2-amino-N-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutanamide
CID 104906984
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]butanamide
CID 54863171
ethyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 177241817
2-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-methylsulfonylbutanamide
CID 43705849
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111521235
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[4-(triazol-2-yl)phenyl]urea
CID 71867165
2-amino-5-methoxy-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]pentanamide
CID 81082805
4-amino-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-5-oxopentanoic acid
CID 64895222

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide?
The IUPAC name of 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide (CID 119328796) is 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide.
What is the SMILES notation for 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide?
The canonical SMILES for 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide is CCCC(N)C(=O)Nc1cnn(CC(F)F)c1.
What is the InChIKey of 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide?
The InChIKey is RJDFEBVQVHYPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-2-3-8(13)10(17)15-7-4-14-16(5-7)6-9(11)12/h4-5,8-9H,2-3,6,13H2,1H3,(H,15,17).
What are the key properties of 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide?
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide has a molecular weight of 246.26 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide is sourced from PubChem (CID 119328796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).