N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C21H20FN3O — CID 55711490

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)C3CC3c3ccccc3F)c2)n1
InChIInChI=1S/C21H20FN3O/c1-13-10-14(2)25(24-13)16-7-5-6-15(11-16)23-21(26)19-12-18(19)17-8-3-4-9-20(17)22/h3-11,18-19H,12H2,1-2H3,(H,23,26)
InChIKeyMIYGIKKHBWDRBU-UHFFFAOYSA-N
MW349.41 g/mol
LogP4.37
Rot. Bonds4

About N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 55711490) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID55711490
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)n(-c2cccc(NC(=O)C3CC3c3ccccc3F)c2)n1
InChIInChI=1S/C21H20FN3O/c1-13-10-14(2)25(24-13)16-7-5-6-15(11-16)23-21(26)19-12-18(19)17-8-3-4-9-20(17)22/h3-11,18-19H,12H2,1-2H3,(H,23,26)
InChIKeyMIYGIKKHBWDRBU-UHFFFAOYSA-N
XLogP4.37
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 ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119733216
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119294776
trans-(1S,2S)-2-(2-methoxyphenyl)-N-[3-(1,2,4-triazol-4-yl)phenyl]cyclopropane-1-carboxamide
CID 95283593
2-(2-fluorophenyl)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopropane-1-carboxamide
CID 60582319
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 134042792
2-(3,4-difluorophenyl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]cyclopropane-1-carboxamide
CID 86903481
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-1-prop-2-enoylpiperidine-4-carboxamide
CID 166405576
cis-(1S,2R)-2-(2-fluorophenyl)-N-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 51458730
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55948579
(2S)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294768
(2R)-2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide;hydrochloride
CID 119294780
2-(2-fluorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 134009901

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 55711490) is N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is Cc1cc(C)n(-c2cccc(NC(=O)C3CC3c3ccccc3F)c2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is MIYGIKKHBWDRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-13-10-14(2)25(24-13)16-7-5-6-15(11-16)23-21(26)19-12-18(19)17-8-3-4-9-20(17)22/h3-11,18-19H,12H2,1-2H3,(H,23,26).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55711490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).