3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide

C19H24ClN3O — CID 2941662

IUPAC3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide
SMILESCc1nn(Cc2cccc(C(=O)NC3CCCCC3)c2)c(C)c1Cl
InChIInChI=1S/C19H24ClN3O/c1-13-18(20)14(2)23(22-13)12-15-7-6-8-16(11-15)19(24)21-17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12H2,1-2H3,(H,21,24)
InChIKeyCIAAMIQKWXXCEM-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.26
Rot. Bonds4

About 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide

3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide (PubChem CID 2941662) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide
PubChem CID2941662
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide
SMILESCc1nn(Cc2cccc(C(=O)NC3CCCCC3)c2)c(C)c1Cl
InChIInChI=1S/C19H24ClN3O/c1-13-18(20)14(2)23(22-13)12-15-7-6-8-16(11-15)19(24)21-17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12H2,1-2H3,(H,21,24)
InChIKeyCIAAMIQKWXXCEM-UHFFFAOYSA-N
XLogP4.26
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide?
The IUPAC name of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide (CID 2941662) is 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide is Cc1nn(Cc2cccc(C(=O)NC3CCCCC3)c2)c(C)c1Cl.
What is the InChIKey of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide?
The InChIKey is CIAAMIQKWXXCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-13-18(20)14(2)23(22-13)12-15-7-6-8-16(11-15)19(24)21-17-9-4-3-5-10-17/h6-8,11,17H,3-5,9-10,12H2,1-2H3,(H,21,24).
What are the key properties of 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide?
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide has a molecular weight of 345.87 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 2941662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).