1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide

C16H17ClN4O2 — CID 75445446

IUPAC1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide
SMILESCOCC(C)(C#N)NC(=O)c1cc(C)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H17ClN4O2/c1-11-8-13(15(22)19-16(2,9-18)10-23-3)20-21(11)14-7-5-4-6-12(14)17/h4-8H,10H2,1-3H3,(H,19,22)
InChIKeyDPPWOHZMHJHLTO-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.49
Rot. Bonds5

About 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide

1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide (PubChem CID 75445446) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide
PubChem CID75445446
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide
SMILESCOCC(C)(C#N)NC(=O)c1cc(C)n(-c2ccccc2Cl)n1
InChIInChI=1S/C16H17ClN4O2/c1-11-8-13(15(22)19-16(2,9-18)10-23-3)20-21(11)14-7-5-4-6-12(14)17/h4-8H,10H2,1-3H3,(H,19,22)
InChIKeyDPPWOHZMHJHLTO-UHFFFAOYSA-N
XLogP2.49
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide (CID 75445446) is 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide is COCC(C)(C#N)NC(=O)c1cc(C)n(-c2ccccc2Cl)n1.
What is the InChIKey of 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide?
The InChIKey is DPPWOHZMHJHLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-11-8-13(15(22)19-16(2,9-18)10-23-3)20-21(11)14-7-5-4-6-12(14)17/h4-8H,10H2,1-3H3,(H,19,22).
What are the key properties of 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide?
1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-(2-cyano-1-methoxypropan-2-yl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 75445446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).