(2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide

C12H18F2N4O — CID 177043357

IUPAC(2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide
SMILESN[C@@H](CC1CCCC1)C(=O)Nc1cnn(C(F)F)c1
InChIInChI=1S/C12H18F2N4O/c13-12(14)18-7-9(6-16-18)17-11(19)10(15)5-8-3-1-2-4-8/h6-8,10,12H,1-5,15H2,(H,17,19)/t10-/m0/s1
InChIKeyPGGBHPUBIIDLCZ-JTQLQIEISA-N
MW272.30 g/mol
LogP2.12
Rot. Bonds5

About (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide

(2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide (PubChem CID 177043357) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide
PubChem CID177043357
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name(2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide
SMILESN[C@@H](CC1CCCC1)C(=O)Nc1cnn(C(F)F)c1
InChIInChI=1S/C12H18F2N4O/c13-12(14)18-7-9(6-16-18)17-11(19)10(15)5-8-3-1-2-4-8/h6-8,10,12H,1-5,15H2,(H,17,19)/t10-/m0/s1
InChIKeyPGGBHPUBIIDLCZ-JTQLQIEISA-N
XLogP2.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide (CID 177043357) is (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide is N[C@@H](CC1CCCC1)C(=O)Nc1cnn(C(F)F)c1.
What is the InChIKey of (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
The InChIKey is PGGBHPUBIIDLCZ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18F2N4O/c13-12(14)18-7-9(6-16-18)17-11(19)10(15)5-8-3-1-2-4-8/h6-8,10,12H,1-5,15H2,(H,17,19)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide?
(2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide has a molecular weight of 272.30 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-cyclopentyl-N-[1-(difluoromethyl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 177043357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).