1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide

C19H24ClN3O — CID 4880005

IUPAC1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H24ClN3O/c1-14-17(19(24)21-16-11-7-2-3-8-12-16)18(20)23(22-14)13-15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,21,24)
InChIKeyPNKONZIDCALVEW-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.35
Rot. Bonds4

About 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide (PubChem CID 4880005) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide
PubChem CID4880005
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CCCCCC1
InChIInChI=1S/C19H24ClN3O/c1-14-17(19(24)21-16-11-7-2-3-8-12-16)18(20)23(22-14)13-15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,21,24)
InChIKeyPNKONZIDCALVEW-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide (CID 4880005) is 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC1CCCCCC1.
What is the InChIKey of 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide?
The InChIKey is PNKONZIDCALVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-14-17(19(24)21-16-11-7-2-3-8-12-16)18(20)23(22-14)13-15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,21,24).
What are the key properties of 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide has a molecular weight of 345.87 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-cycloheptyl-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4880005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).