N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide

C18H22FN3O — CID 16668191

IUPACN-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cn1
InChIInChI=1S/C18H22FN3O/c1-13(2)22-12-14(11-20-22)17(23)21-18(9-3-4-10-18)15-5-7-16(19)8-6-15/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyIYHAMXCXBVIHKC-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.80
Rot. Bonds4

About N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide

N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 16668191) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID16668191
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cn1
InChIInChI=1S/C18H22FN3O/c1-13(2)22-12-14(11-20-22)17(23)21-18(9-3-4-10-18)15-5-7-16(19)8-6-15/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,23)
InChIKeyIYHAMXCXBVIHKC-UHFFFAOYSA-N
XLogP3.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 16668191) is N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1cc(C(=O)NC2(c3ccc(F)cc3)CCCC2)cn1.
What is the InChIKey of N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is IYHAMXCXBVIHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-13(2)22-12-14(11-20-22)17(23)21-18(9-3-4-10-18)15-5-7-16(19)8-6-15/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide?
N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 16668191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).