1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide

C13H20FN3O — CID 166223890

IUPAC1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCC(C)Cc1cc(NC(=O)C2(F)CCCC2)n[nH]1
InChIInChI=1S/C13H20FN3O/c1-9(2)7-10-8-11(17-16-10)15-12(18)13(14)5-3-4-6-13/h8-9H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeySEMXPVOVOYIBKR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.83
Rot. Bonds4

About 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide

1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide (PubChem CID 166223890) has the molecular formula C13H20FN3O and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
PubChem CID166223890
Molecular FormulaC13H20FN3O
Molecular Weight253.32 g/mol
Exact Mass253.16
IUPAC Name1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide
SMILESCC(C)Cc1cc(NC(=O)C2(F)CCCC2)n[nH]1
InChIInChI=1S/C13H20FN3O/c1-9(2)7-10-8-11(17-16-10)15-12(18)13(14)5-3-4-6-13/h8-9H,3-7H2,1-2H3,(H2,15,16,17,18)
InChIKeySEMXPVOVOYIBKR-UHFFFAOYSA-N
XLogP2.83
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide (CID 166223890) is 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide is CC(C)Cc1cc(NC(=O)C2(F)CCCC2)n[nH]1.
What is the InChIKey of 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
The InChIKey is SEMXPVOVOYIBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O/c1-9(2)7-10-8-11(17-16-10)15-12(18)13(14)5-3-4-6-13/h8-9H,3-7H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide?
1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide has a molecular weight of 253.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-[5-(2-methylpropyl)-1H-pyrazol-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 166223890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).