N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide

C17H15ClN4O — CID 752948

IUPACN-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1
InChIInChI=1S/C17H15ClN4O/c1-21-12-14(18)16(20-21)17(23)22(15-9-5-6-10-19-15)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyDJUUSTPWDZKXEF-UHFFFAOYSA-N
MW326.79 g/mol
LogP3.32
Rot. Bonds4

About N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide

N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 752948) has the molecular formula C17H15ClN4O and a molecular weight of 326.79 g/mol. Its IUPAC name is N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID752948
Molecular FormulaC17H15ClN4O
Molecular Weight326.79 g/mol
Exact Mass326.09
IUPAC NameN-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1
InChIInChI=1S/C17H15ClN4O/c1-21-12-14(18)16(20-21)17(23)22(15-9-5-6-10-19-15)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3
InChIKeyDJUUSTPWDZKXEF-UHFFFAOYSA-N
XLogP3.32
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.79
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide (CID 752948) is N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1.
What is the InChIKey of N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is DJUUSTPWDZKXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O/c1-21-12-14(18)16(20-21)17(23)22(15-9-5-6-10-19-15)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3.
What are the key properties of N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide?
N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 326.79 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-1-methyl-N-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 752948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).