N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide

C16H18FN3O — CID 42874244

IUPACN-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide
SMILESCC(C)c1[nH]nc(-c2ccc(F)cc2)c1NC(=O)C1CC1
InChIInChI=1S/C16H18FN3O/c1-9(2)13-15(18-16(21)11-3-4-11)14(20-19-13)10-5-7-12(17)8-6-10/h5-9,11H,3-4H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVIEXABONMDIOEB-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.69
Rot. Bonds4

About N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide

N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide (PubChem CID 42874244) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide
PubChem CID42874244
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC NameN-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide
SMILESCC(C)c1[nH]nc(-c2ccc(F)cc2)c1NC(=O)C1CC1
InChIInChI=1S/C16H18FN3O/c1-9(2)13-15(18-16(21)11-3-4-11)14(20-19-13)10-5-7-12(17)8-6-10/h5-9,11H,3-4H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyVIEXABONMDIOEB-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686759
N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686470
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 110091766
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 7733333
N-(4-phenyl-5-propan-2-yl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 39001874
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 3251832
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
N-(5-propan-2-yl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 115663305
N-(2,6-difluorophenyl)cyclopropanecarboxamide
CID 60631276
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide (CID 42874244) is N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide is CC(C)c1[nH]nc(-c2ccc(F)cc2)c1NC(=O)C1CC1.
What is the InChIKey of N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
The InChIKey is VIEXABONMDIOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-9(2)13-15(18-16(21)11-3-4-11)14(20-19-13)10-5-7-12(17)8-6-10/h5-9,11H,3-4H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide?
N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide has a molecular weight of 287.34 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-5-propan-2-yl-1H-pyrazol-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42874244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).