1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide

C16H16N4O — CID 90937167

IUPAC1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccn1C
InChIInChI=1S/C16H16N4O/c1-11-14(17-16(21)13-9-6-10-20(13)2)15(19-18-11)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,21)(H,18,19)
InChIKeyMWUNARRGSIMZKK-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.98
Rot. Bonds3

About 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide

1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide (PubChem CID 90937167) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide
PubChem CID90937167
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide
SMILESCc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccn1C
InChIInChI=1S/C16H16N4O/c1-11-14(17-16(21)13-9-6-10-20(13)2)15(19-18-11)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,21)(H,18,19)
InChIKeyMWUNARRGSIMZKK-UHFFFAOYSA-N
XLogP2.98
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide (CID 90937167) is 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide is Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cccn1C.
What is the InChIKey of 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide?
The InChIKey is MWUNARRGSIMZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-11-14(17-16(21)13-9-6-10-20(13)2)15(19-18-11)12-7-4-3-5-8-12/h3-10H,1-2H3,(H,17,21)(H,18,19).
What are the key properties of 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide?
1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-methyl-3-phenyl-1H-pyrazol-4-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 90937167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).