1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

C21H20FN3O — CID 72865599

IUPAC1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O/c22-18-8-6-17(7-9-18)21(11-12-21)20(26)23-13-10-16-14-24-25(15-16)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2,(H,23,26)
InChIKeyZJJUFJBPQWXONF-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.40
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide

1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 72865599) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID72865599
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O/c22-18-8-6-17(7-9-18)21(11-12-21)20(26)23-13-10-16-14-24-25(15-16)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2,(H,23,26)
InChIKeyZJJUFJBPQWXONF-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120920833
(2S)-1-benzoyl-2-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]piperidine-2-carboxamide
CID 97349528
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
3-amino-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 131935956
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111230357
N-[2-(1-phenylpyrazol-4-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 16613811
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
N-[(4-fluorophenyl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 2540117
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
N-[2-(4-aminophenyl)ethyl]-1-(4-fluorophenyl)cyclopentane-1-carboxamide
CID 119549251
1-(4-fluorophenyl)-N-(4-phenylbutyl)cyclohexane-1-carboxamide
CID 58842299

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 72865599) is 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is ZJJUFJBPQWXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c22-18-8-6-17(7-9-18)21(11-12-21)20(26)23-13-10-16-14-24-25(15-16)19-4-2-1-3-5-19/h1-9,14-15H,10-13H2,(H,23,26).
What are the key properties of 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 349.41 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 72865599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).