1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide

C18H15FN4O — CID 134596870

IUPAC1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H15FN4O/c19-15-4-2-1-3-14(15)18(8-9-18)17(24)21-16-7-12-23(22-16)13-5-10-20-11-6-13/h1-7,10-12H,8-9H2,(H,21,22,24)
InChIKeyVFXZPQVXRXXCIS-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.08
Rot. Bonds4

About 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 134596870) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID134596870
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H15FN4O/c19-15-4-2-1-3-14(15)18(8-9-18)17(24)21-16-7-12-23(22-16)13-5-10-20-11-6-13/h1-7,10-12H,8-9H2,(H,21,22,24)
InChIKeyVFXZPQVXRXXCIS-UHFFFAOYSA-N
XLogP3.08
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 118560618
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2-(2-Dodecyl-2H-tetrazol-5-yl)-2-phenyl-N-pyridin-2-yl-acetamide
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2-(2-Dodecyl-2H-tetrazol-5-yl)-N-(3-methyl-pyridin-2-yl)-2-phenyl-acetamide
CID 10298395
5-(4-Fluorophenyl)-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 15513074
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CID 50899554
N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]-3,3-dimethylbutanamide
CID 68750421
3-cyclopentyl-N-[3-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-2-yl]propanamide
CID 68753268
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 134596870) is 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccncc2)n1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is VFXZPQVXRXXCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c19-15-4-2-1-3-14(15)18(8-9-18)17(24)21-16-7-12-23(22-16)13-5-10-20-11-6-13/h1-7,10-12H,8-9H2,(H,21,22,24).
What are the key properties of 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-(1-pyridin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134596870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).