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

C15H22F2N4O2 — CID 167940109

IUPAC2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
SMILESCC(NC(=O)CC1CCCC1)C(=O)Nc1cn(C)nc1C(F)F
InChIInChI=1S/C15H22F2N4O2/c1-9(18-12(22)7-10-5-3-4-6-10)15(23)19-11-8-21(2)20-13(11)14(16)17/h8-10,14H,3-7H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLHLMRXWJSHGOJC-UHFFFAOYSA-N
MW328.36 g/mol
LogP2.38
Rot. Bonds6

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

2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide (PubChem CID 167940109) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide.

Molecular Properties

Compound Name2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
PubChem CID167940109
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide
SMILESCC(NC(=O)CC1CCCC1)C(=O)Nc1cn(C)nc1C(F)F
InChIInChI=1S/C15H22F2N4O2/c1-9(18-12(22)7-10-5-3-4-6-10)15(23)19-11-8-21(2)20-13(11)14(16)17/h8-10,14H,3-7H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyLHLMRXWJSHGOJC-UHFFFAOYSA-N
XLogP2.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The IUPAC name of 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide (CID 167940109) is 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide.
What is the SMILES notation for 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The canonical SMILES for 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide is CC(NC(=O)CC1CCCC1)C(=O)Nc1cn(C)nc1C(F)F.
What is the InChIKey of 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
The InChIKey is LHLMRXWJSHGOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-9(18-12(22)7-10-5-3-4-6-10)15(23)19-11-8-21(2)20-13(11)14(16)17/h8-10,14H,3-7H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide?
2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide has a molecular weight of 328.36 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclopentylacetyl)amino]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]propanamide is sourced from PubChem (CID 167940109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).