1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

C21H20FN3O — CID 135315834

IUPAC1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C21H20FN3O/c1-20(2)14-21(20,16-10-6-7-11-17(16)22)19(26)23-18-12-13-25(24-18)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,23,24,26)
InChIKeyRDMFQPRZNVRIMW-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.32
Rot. Bonds4

About 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide

1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 135315834) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID135315834
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESCC1(C)CC1(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1F
InChIInChI=1S/C21H20FN3O/c1-20(2)14-21(20,16-10-6-7-11-17(16)22)19(26)23-18-12-13-25(24-18)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,23,24,26)
InChIKeyRDMFQPRZNVRIMW-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
1-(2-fluorophenyl)-N-[1-(1-methyl-1,2,4-triazol-3-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134596299
1-(2-fluorophenyl)-N-[1-(1-methyltriazol-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134589060
2-(2,6-difluorophenyl)-N-(1-phenylpyrazol-3-yl)acetamide
CID 135316122
4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide
CID 119702679
1-(2-fluorophenyl)-N-[1-(6-methoxypyridazin-4-yl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 134588716
(1S)-2,2-dichloro-N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589233
1-(2-fluorophenyl)-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134588837
(1S)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(2-fluorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 126428940
N-[1-(2,3-dimethyl-4-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 135316111
N-[1-(5-cyano-3-pyridinyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596540
N-[1-(2-chloro-1,3-thiazol-5-yl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134596514

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 135315834) is 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is CC1(C)CC1(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is RDMFQPRZNVRIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-20(2)14-21(20,16-10-6-7-11-17(16)22)19(26)23-18-12-13-25(24-18)15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,23,24,26).
What are the key properties of 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide?
1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2,2-dimethyl-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 135315834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).