1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C18H14F2N4O — CID 134589224

IUPAC1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14F2N4O/c19-12-9-13(11-21-10-12)24-8-5-16(23-24)22-17(25)18(6-7-18)14-3-1-2-4-15(14)20/h1-5,8-11H,6-7H2,(H,22,23,25)
InChIKeyHLNBLZFQMHUNAG-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.22
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134589224) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134589224
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14F2N4O/c19-12-9-13(11-21-10-12)24-8-5-16(23-24)22-17(25)18(6-7-18)14-3-1-2-4-15(14)20/h1-5,8-11H,6-7H2,(H,22,23,25)
InChIKeyHLNBLZFQMHUNAG-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134589224) is 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2cncc(F)c2)n1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is HLNBLZFQMHUNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-12-9-13(11-21-10-12)24-8-5-16(23-24)22-17(25)18(6-7-18)14-3-1-2-4-15(14)20/h1-5,8-11H,6-7H2,(H,22,23,25).
What are the key properties of 1-(2-fluorophenyl)-N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[1-(5-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-(5-fluoro-3-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134589224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).