1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide

C17H15ClN4O2 — CID 19581810

IUPAC1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(COc3ccccc3Cl)n2)nc1
InChIInChI=1S/C17H15ClN4O2/c1-12-6-7-16(19-10-12)20-17(23)14-8-9-22(21-14)11-24-15-5-3-2-4-13(15)18/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeySYFDVOLQGCQHOV-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.53
Rot. Bonds5

About 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide

1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide (PubChem CID 19581810) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
PubChem CID19581810
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccn(COc3ccccc3Cl)n2)nc1
InChIInChI=1S/C17H15ClN4O2/c1-12-6-7-16(19-10-12)20-17(23)14-8-9-22(21-14)11-24-15-5-3-2-4-13(15)18/h2-10H,11H2,1H3,(H,19,20,23)
InChIKeySYFDVOLQGCQHOV-UHFFFAOYSA-N
XLogP3.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide (CID 19581810) is 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide is Cc1ccc(NC(=O)c2ccn(COc3ccccc3Cl)n2)nc1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is SYFDVOLQGCQHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-12-6-7-16(19-10-12)20-17(23)14-8-9-22(21-14)11-24-15-5-3-2-4-13(15)18/h2-10H,11H2,1H3,(H,19,20,23).
What are the key properties of 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 342.79 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)methyl]-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19581810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).