1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C18H14F2N4O — CID 134596862

IUPAC1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccc(F)nc2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14F2N4O/c19-14-4-2-1-3-13(14)18(8-9-18)17(25)22-16-7-10-24(23-16)12-5-6-15(20)21-11-12/h1-7,10-11H,8-9H2,(H,22,23,25)
InChIKeyZSBQCAFIVMPZNI-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134596862) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134596862
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccc(F)nc2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14F2N4O/c19-14-4-2-1-3-13(14)18(8-9-18)17(25)22-16-7-10-24(23-16)12-5-6-15(20)21-11-12/h1-7,10-11H,8-9H2,(H,22,23,25)
InChIKeyZSBQCAFIVMPZNI-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'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134596862) is 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccc(F)nc2)n1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ZSBQCAFIVMPZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-14-4-2-1-3-13(14)18(8-9-18)17(25)22-16-7-10-24(23-16)12-5-6-15(20)21-11-12/h1-7,10-11H,8-9H2,(H,22,23,25).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[1-(6-fluoro-3-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-(2-fluorophenyl)-N-[1-(6-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134596862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).