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

C20H19FN4O2 — CID 134596083

IUPAC1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCCOc1ccc(C2(C(=O)Nc3ccn(-c4ccnc(F)c4)n3)CC2)cc1
InChIInChI=1S/C20H19FN4O2/c1-2-27-16-5-3-14(4-6-16)20(9-10-20)19(26)23-18-8-12-25(24-18)15-7-11-22-17(21)13-15/h3-8,11-13H,2,9-10H2,1H3,(H,23,24,26)
InChIKeyAENIXDDFPBUUAK-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.48
Rot. Bonds6

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

1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134596083) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134596083
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESCCOc1ccc(C2(C(=O)Nc3ccn(-c4ccnc(F)c4)n3)CC2)cc1
InChIInChI=1S/C20H19FN4O2/c1-2-27-16-5-3-14(4-6-16)20(9-10-20)19(26)23-18-8-12-25(24-18)15-7-11-22-17(21)13-15/h3-8,11-13H,2,9-10H2,1H3,(H,23,24,26)
InChIKeyAENIXDDFPBUUAK-UHFFFAOYSA-N
XLogP3.48
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 135315896
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
(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-(4-fluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596341
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-2-(1-methylpyrrol-2-yl)acetamide
CID 135315887
N-[1-(3,5-difluorophenyl)pyrazol-3-yl]-1-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 134596548
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086
1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596279
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596476
1-phenyl-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589054

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134596083) is 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is CCOc1ccc(C2(C(=O)Nc3ccn(-c4ccnc(F)c4)n3)CC2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is AENIXDDFPBUUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c1-2-27-16-5-3-14(4-6-16)20(9-10-20)19(26)23-18-8-12-25(24-18)15-7-11-22-17(21)13-15/h3-8,11-13H,2,9-10H2,1H3,(H,23,24,26).
What are the key properties of 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134596083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).