1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C18H14F2N4O — CID 134596194

IUPAC1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C18H14F2N4O/c19-13-3-1-2-12(10-13)18(6-7-18)17(25)22-16-5-9-24(23-16)14-4-8-21-15(20)11-14/h1-5,8-11H,6-7H2,(H,22,23,25)
InChIKeySFSOVDVWCFISPO-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.22
Rot. Bonds4

About 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134596194) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134596194
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C18H14F2N4O/c19-13-3-1-2-12(10-13)18(6-7-18)17(25)22-16-5-9-24(23-16)14-4-8-21-15(20)11-14/h1-5,8-11H,6-7H2,(H,22,23,25)
InChIKeySFSOVDVWCFISPO-UHFFFAOYSA-N
XLogP3.22
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134596194) is 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is SFSOVDVWCFISPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-13-3-1-2-12(10-13)18(6-7-18)17(25)22-16-5-9-24(23-16)14-4-8-21-15(20)11-14/h1-5,8-11H,6-7H2,(H,22,23,25).
What are the key properties of 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 340.33 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134596194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).