1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide

C20H16F4N4O2 — CID 134596476

IUPAC1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(C(O)C(F)(F)F)c2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H16F4N4O2/c21-14-4-2-1-3-13(14)19(7-8-19)18(30)26-16-6-10-28(27-16)12-5-9-25-15(11-12)17(29)20(22,23)24/h1-6,9-11,17,29H,7-8H2,(H,26,27,30)
InChIKeyASLNFDXARXRORD-UHFFFAOYSA-N
MW420.37 g/mol
LogP3.67
Rot. Bonds5

About 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide

1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 134596476) has the molecular formula C20H16F4N4O2 and a molecular weight of 420.37 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID134596476
Molecular FormulaC20H16F4N4O2
Molecular Weight420.37 g/mol
Exact Mass420.12
IUPAC Name1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(C(O)C(F)(F)F)c2)n1)C1(c2ccccc2F)CC1
InChIInChI=1S/C20H16F4N4O2/c21-14-4-2-1-3-13(14)19(7-8-19)18(30)26-16-6-10-28(27-16)12-5-9-25-15(11-12)17(29)20(22,23)24/h1-6,9-11,17,29H,7-8H2,(H,26,27,30)
InChIKeyASLNFDXARXRORD-UHFFFAOYSA-N
XLogP3.67
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 135316111
1-(2,6-difluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 135315896
1-(2-fluorophenyl)-N-[1-(1,3-thiazol-2-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589053
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134596485
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837
1-(2-fluorophenyl)-N-(1-pyridazin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596121
1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596299
N-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596540
1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134588716
N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596514
1-(4-fluorophenyl)-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596195
1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589060

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide (CID 134596476) is 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn(-c2ccnc(C(O)C(F)(F)F)c2)n1)C1(c2ccccc2F)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ASLNFDXARXRORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F4N4O2/c21-14-4-2-1-3-13(14)19(7-8-19)18(30)26-16-6-10-28(27-16)12-5-9-25-15(11-12)17(29)20(22,23)24/h1-6,9-11,17,29H,7-8H2,(H,26,27,30).
What are the key properties of 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 420.37 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[1-[2-(2,2,2-trifluoro-1-hydroxyethyl)-4-pyridinyl]pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134596476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).