2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide

C23H24ClN3O — CID 55970665

IUPAC2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C23H24ClN3O/c1-27(23(28)20-15-19(20)18-11-5-6-12-21(18)24)13-7-10-17-14-22(26-25-17)16-8-3-2-4-9-16/h2-6,8-9,11-12,14,19-20H,7,10,13,15H2,1H3,(H,25,26)
InChIKeyFCADUWJMYUZOJU-UHFFFAOYSA-N
MW393.92 g/mol
LogP4.92
Rot. Bonds7

About 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 55970665) has the molecular formula C23H24ClN3O and a molecular weight of 393.92 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide
PubChem CID55970665
Molecular FormulaC23H24ClN3O
Molecular Weight393.92 g/mol
Exact Mass393.16
IUPAC Name2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESCN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC1c1ccccc1Cl
InChIInChI=1S/C23H24ClN3O/c1-27(23(28)20-15-19(20)18-11-5-6-12-21(18)24)13-7-10-17-14-22(26-25-17)16-8-3-2-4-9-16/h2-6,8-9,11-12,14,19-20H,7,10,13,15H2,1H3,(H,25,26)
InChIKeyFCADUWJMYUZOJU-UHFFFAOYSA-N
XLogP4.92
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide (CID 55970665) is 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide is CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is FCADUWJMYUZOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-27(23(28)20-15-19(20)18-11-5-6-12-21(18)24)13-7-10-17-14-22(26-25-17)16-8-3-2-4-9-16/h2-6,8-9,11-12,14,19-20H,7,10,13,15H2,1H3,(H,25,26).
What are the key properties of 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-methyl-N-[3-(3-phenyl-1H-pyrazol-5-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55970665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).