2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide

C14H18BrF2N3O — CID 4774632

IUPAC2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(C(F)F)c(Br)c1C1CC1)NC1CCCC1
InChIInChI=1S/C14H18BrF2N3O/c15-11-12(14(16)17)19-20(13(11)8-5-6-8)7-10(21)18-9-3-1-2-4-9/h8-9,14H,1-7H2,(H,18,21)
InChIKeyODKZSYGMDRHOKU-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide

2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide (PubChem CID 4774632) has the molecular formula C14H18BrF2N3O and a molecular weight of 362.22 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide
PubChem CID4774632
Molecular FormulaC14H18BrF2N3O
Molecular Weight362.22 g/mol
Exact Mass361.06
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide
SMILESO=C(Cn1nc(C(F)F)c(Br)c1C1CC1)NC1CCCC1
InChIInChI=1S/C14H18BrF2N3O/c15-11-12(14(16)17)19-20(13(11)8-5-6-8)7-10(21)18-9-3-1-2-4-9/h8-9,14H,1-7H2,(H,18,21)
InChIKeyODKZSYGMDRHOKU-UHFFFAOYSA-N
XLogP3.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide (CID 4774632) is 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide is O=C(Cn1nc(C(F)F)c(Br)c1C1CC1)NC1CCCC1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
The InChIKey is ODKZSYGMDRHOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N3O/c15-11-12(14(16)17)19-20(13(11)8-5-6-8)7-10(21)18-9-3-1-2-4-9/h8-9,14H,1-7H2,(H,18,21).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide?
2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide has a molecular weight of 362.22 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 4774632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).