1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide

C18H18N4O — CID 71579830

IUPAC1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccccc3)c2C)n1
InChIInChI=1S/C18H18N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,19,20,23)
InChIKeyPDUYPEOJRTWPFT-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.35
Rot. Bonds3

About 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide

1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide (PubChem CID 71579830) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
PubChem CID71579830
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide
SMILESCc1cccc(NC(=O)c2nn(C)c(-c3ccccc3)c2C)n1
InChIInChI=1S/C18H18N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,19,20,23)
InChIKeyPDUYPEOJRTWPFT-UHFFFAOYSA-N
XLogP3.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The IUPAC name of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide (CID 71579830) is 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The canonical SMILES for 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide is Cc1cccc(NC(=O)c2nn(C)c(-c3ccccc3)c2C)n1.
What is the InChIKey of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
The InChIKey is PDUYPEOJRTWPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-8-7-11-15(19-12)20-18(23)16-13(2)17(22(3)21-16)14-9-5-4-6-10-14/h4-11H,1-3H3,(H,19,20,23).
What are the key properties of 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide?
1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-N-(6-methyl-2-pyridinyl)-5-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 71579830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).