1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

C18H13F3N4O — CID 135315896

IUPAC1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2c(F)cccc2F)CC1
InChIInChI=1S/C18H13F3N4O/c19-12-2-1-3-13(20)16(12)18(6-7-18)17(26)23-15-5-9-25(24-15)11-4-8-22-14(21)10-11/h1-5,8-10H,6-7H2,(H,23,24,26)
InChIKeyZYBONMHZJCCNSV-UHFFFAOYSA-N
MW358.32 g/mol
LogP3.35
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide

1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 135315896) has the molecular formula C18H13F3N4O and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID135315896
Molecular FormulaC18H13F3N4O
Molecular Weight358.32 g/mol
Exact Mass358.10
IUPAC Name1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2c(F)cccc2F)CC1
InChIInChI=1S/C18H13F3N4O/c19-12-2-1-3-13(20)16(12)18(6-7-18)17(26)23-15-5-9-25(24-15)11-4-8-22-14(21)10-11/h1-5,8-10H,6-7H2,(H,23,24,26)
InChIKeyZYBONMHZJCCNSV-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 53.35
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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Related Compounds

N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134596485
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596083
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
(1S)-2,2-dichloro-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589233
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-phenylspiro[2.3]hexane-2-carboxamide
CID 140905836
N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596548
N-[1-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
N-[1-(3,4-difluorophenyl)pyrazol-3-yl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 134596880
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide
CID 135315887
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 135316111

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 135315896) is 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2c(F)cccc2F)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ZYBONMHZJCCNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O/c19-12-2-1-3-13(20)16(12)18(6-7-18)17(26)23-15-5-9-25(24-15)11-4-8-22-14(21)10-11/h1-5,8-10H,6-7H2,(H,23,24,26).
What are the key properties of 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 358.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 135315896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).