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

C13H20F2N4O — CID 177043450

IUPAC(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
SMILESCn1cc(NC(=O)[C@@H](N)CC2CCCC2)c(C(F)F)n1
InChIInChI=1S/C13H20F2N4O/c1-19-7-10(11(18-19)12(14)15)17-13(20)9(16)6-8-4-2-3-5-8/h7-9,12H,2-6,16H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyHRPIUTGKLXUZHX-VIFPVBQESA-N
MW286.33 g/mol
LogP2.20
Rot. Bonds5

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

(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide (PubChem CID 177043450) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
PubChem CID177043450
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
SMILESCn1cc(NC(=O)[C@@H](N)CC2CCCC2)c(C(F)F)n1
InChIInChI=1S/C13H20F2N4O/c1-19-7-10(11(18-19)12(14)15)17-13(20)9(16)6-8-4-2-3-5-8/h7-9,12H,2-6,16H2,1H3,(H,17,20)/t9-/m0/s1
InChIKeyHRPIUTGKLXUZHX-VIFPVBQESA-N
XLogP2.20
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 35520943
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
2-(2-bicyclo[2.2.1]heptanyl)-N-(1,3-dimethylpyrazol-4-yl)acetamide
CID 19346143
2-acetamido-2-cyclopentyl-N-(1-methylpyrazol-4-yl)acetamide
CID 45817623
1-amino-N-[3-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 132308714
N-[1-[(2S)-butan-2-yl]-5-methylpyrazol-4-yl]-2-cyclobutyl-2-methylpropanamide
CID 164634432
(1S)-3,3-difluoro-N-(1-methylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 164637617
(2S)-N-(1,3-dimethylpyrazol-4-yl)-1-methylazepane-2-carboxamide
CID 164640035
3-cyclopentyl-N-[4-methyl-1-(methylideneamino)penta-1,3-dienyl]-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 91437595
N-[3-(difluoromethyl)-1-(4-propan-2-ylcyclohexyl)pyrazol-4-yl]formamide
CID 156490769
N-[3-(difluoromethyl)-1-(4-methylcyclohexyl)pyrazol-4-yl]formamide
CID 156523657
1-[4-[4-Amino-3-(difluoromethyl)pyrazol-1-yl]cyclohexyl]ethanone
CID 160629086

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide (CID 177043450) is (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide is Cn1cc(NC(=O)[C@@H](N)CC2CCCC2)c(C(F)F)n1.
What is the InChIKey of (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The InChIKey is HRPIUTGKLXUZHX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-19-7-10(11(18-19)12(14)15)17-13(20)9(16)6-8-4-2-3-5-8/h7-9,12H,2-6,16H2,1H3,(H,17,20)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
(2S)-2-amino-3-cyclopentyl-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide has a molecular weight of 286.33 g/mol, XLogP of 2.20, 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-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 177043450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).