N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide

C21H20ClN3O — CID 46975477

IUPACN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCC1(c2ccccc2Cl)CC1)c1ccccc1Cn1cccn1
InChIInChI=1S/C21H20ClN3O/c22-19-9-4-3-8-18(19)21(10-11-21)15-23-20(26)17-7-2-1-6-16(17)14-25-13-5-12-24-25/h1-9,12-13H,10-11,14-15H2,(H,23,26)
InChIKeyDJDBDSKOXTXDTL-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.05
Rot. Bonds6

About N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide

N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide (PubChem CID 46975477) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide
PubChem CID46975477
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC NameN-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCC1(c2ccccc2Cl)CC1)c1ccccc1Cn1cccn1
InChIInChI=1S/C21H20ClN3O/c22-19-9-4-3-8-18(19)21(10-11-21)15-23-20(26)17-7-2-1-6-16(17)14-25-13-5-12-24-25/h1-9,12-13H,10-11,14-15H2,(H,23,26)
InChIKeyDJDBDSKOXTXDTL-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide (CID 46975477) is N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide is O=C(NCC1(c2ccccc2Cl)CC1)c1ccccc1Cn1cccn1.
What is the InChIKey of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is DJDBDSKOXTXDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-19-9-4-3-8-18(19)21(10-11-21)15-23-20(26)17-7-2-1-6-16(17)14-25-13-5-12-24-25/h1-9,12-13H,10-11,14-15H2,(H,23,26).
What are the key properties of N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide?
N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 365.86 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chlorophenyl)cyclopropyl]methyl]-2-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 46975477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).