1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane

C38H37ClF4N8O2 — CID 159675269

IUPAC1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane
SMILESC.C.Nc1ccn(-c2ccnc(F)c2)n1.O=C(Cl)C1(c2ccccc2F)CC1.O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14F2N4O.C10H8ClFO.C8H7FN4.2CH4/c19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;9-7-5-6(1-3-11-7)13-4-2-8(10)12-13;;/h1-6,9-11H,7-8H2,(H,22,23,25);1-4H,5-6H2;1-5H,(H2,10,12);2*1H4
InChIKeyMUNDIXAAKDTPBI-UHFFFAOYSA-N
MW749.21 g/mol
LogP8.10
Rot. Bonds7

About 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane

1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane (PubChem CID 159675269) has the molecular formula C38H37ClF4N8O2 and a molecular weight of 749.21 g/mol. Its IUPAC name is 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane.

Molecular Properties

Compound Name1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane
PubChem CID159675269
Molecular FormulaC38H37ClF4N8O2
Molecular Weight749.21 g/mol
Exact Mass748.27
IUPAC Name1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane
SMILESC.C.Nc1ccn(-c2ccnc(F)c2)n1.O=C(Cl)C1(c2ccccc2F)CC1.O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C18H14F2N4O.C10H8ClFO.C8H7FN4.2CH4/c19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;9-7-5-6(1-3-11-7)13-4-2-8(10)12-13;;/h1-6,9-11H,7-8H2,(H,22,23,25);1-4H,5-6H2;1-5H,(H2,10,12);2*1H4
InChIKeyMUNDIXAAKDTPBI-UHFFFAOYSA-N
XLogP8.10
TPSA133.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.21
LogP ≤ 58.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane 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-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?
The IUPAC name of 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane (CID 159675269) is 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane.
What is the SMILES notation for 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?
The canonical SMILES for 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane is C.C.Nc1ccn(-c2ccnc(F)c2)n1.O=C(Cl)C1(c2ccccc2F)CC1.O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?
The InChIKey is MUNDIXAAKDTPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O.C10H8ClFO.C8H7FN4.2CH4/c19-14-4-2-1-3-13(14)18(7-8-18)17(25)22-16-6-10-24(23-16)12-5-9-21-15(20)11-12;11-9(13)10(5-6-10)7-3-1-2-4-8(7)12;9-7-5-6(1-3-11-7)13-4-2-8(10)12-13;;/h1-6,9-11H,7-8H2,(H,22,23,25);1-4H,5-6H2;1-5H,(H2,10,12);2*1H4.
What are the key properties of 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane?
1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane has a molecular weight of 749.21 g/mol, XLogP of 8.10, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)cyclopropane-1-carbonyl chloride;1-(2-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide;1-(2-fluoro-4-pyridinyl)pyrazol-3-amine;methane is sourced from PubChem (CID 159675269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).