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

CID 118560618
CID 118560618
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CID 9969008
CID 9969008
CID 10114711
CID 10114711
CID 10298395
CID 10298395
CID 15513074
CID 15513074
CID 50899554
CID 50899554
CID 68750421
CID 68750421
CID 68753268
CID 68753268
CID 69692723
CID 69692723
CID 110472142
CID 110472142
CID 118560158
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).