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

C21H20ClN3O — CID 134000864

IUPAC2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C21H20ClN3O/c22-20-9-5-4-8-17(20)18-12-19(18)21(26)23-11-10-15-13-24-25(14-15)16-6-2-1-3-7-16/h1-9,13-14,18-19H,10-12H2,(H,23,26)
InChIKeyCHIQILSTJIPUOS-UHFFFAOYSA-N
MW365.86 g/mol
LogP3.99
Rot. Bonds6

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

2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 134000864) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID134000864
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide
SMILESO=C(NCCc1cnn(-c2ccccc2)c1)C1CC1c1ccccc1Cl
InChIInChI=1S/C21H20ClN3O/c22-20-9-5-4-8-17(20)18-12-19(18)21(26)23-11-10-15-13-24-25(14-15)16-6-2-1-3-7-16/h1-9,13-14,18-19H,10-12H2,(H,23,26)
InChIKeyCHIQILSTJIPUOS-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
2-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 51291805
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]azepane-2-carboxamide
CID 72864530
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
6-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-3-carboxamide
CID 16613764
cis-(1S,2R)-N-[(1-phenylpyrazol-4-yl)methyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 94388476
N-[2-(1-phenylpyrazol-4-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-7-carboxamide
CID 75129510
3-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]thiophene-2-carboxamide
CID 131904380
2-[(1-phenylpyrazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60790945
trans-(1R,2R)-N-(4-amino-4-oxobutyl)-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 95594248
N-[2-(1-phenylpyrazol-4-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepine-7-carboxamide;2,2,2-trifluoroacetic acid
CID 166310223
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide (CID 134000864) is 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is O=C(NCCc1cnn(-c2ccccc2)c1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is CHIQILSTJIPUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-20-9-5-4-8-17(20)18-12-19(18)21(26)23-11-10-15-13-24-25(14-15)16-6-2-1-3-7-16/h1-9,13-14,18-19H,10-12H2,(H,23,26).
What are the key properties of 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134000864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).