(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide

C13H20F2N4O — CID 177043347

IUPAC(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
SMILESCn1ncc(NC(=O)[C@@H](N)CC2CCCC2)c1C(F)F
InChIInChI=1S/C13H20F2N4O/c1-19-11(12(14)15)10(7-17-19)18-13(20)9(16)6-8-4-2-3-5-8/h7-9,12H,2-6,16H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyKPJVYRCSBQMJQI-VIFPVBQESA-N
MW286.33 g/mol
LogP2.20
Rot. Bonds5

About (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide

(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide (PubChem CID 177043347) has the molecular formula C13H20F2N4O and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
PubChem CID177043347
Molecular FormulaC13H20F2N4O
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name(2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
SMILESCn1ncc(NC(=O)[C@@H](N)CC2CCCC2)c1C(F)F
InChIInChI=1S/C13H20F2N4O/c1-19-11(12(14)15)10(7-17-19)18-13(20)9(16)6-8-4-2-3-5-8/h7-9,12H,2-6,16H2,1H3,(H,18,20)/t9-/m0/s1
InChIKeyKPJVYRCSBQMJQI-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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The IUPAC name of (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide (CID 177043347) is (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The canonical SMILES for (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide is Cn1ncc(NC(=O)[C@@H](N)CC2CCCC2)c1C(F)F.
What is the InChIKey of (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The InChIKey is KPJVYRCSBQMJQI-VIFPVBQESA-N. The full InChI is InChI=1S/C13H20F2N4O/c1-19-11(12(14)15)10(7-17-19)18-13(20)9(16)6-8-4-2-3-5-8/h7-9,12H,2-6,16H2,1H3,(H,18,20)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-3-cyclopentyl-N-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
(2S)-2-amino-3-cyclopentyl-N-[5-(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-[5-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 177043347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).