3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C15H14N4O — CID 53015682

IUPAC3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(N)=O
InChIInChI=1S/C15H14N4O/c1-11-13(14(16)20)15(18-9-5-6-10-18)19(17-11)12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,20)
InChIKeyGCNOBWCHPKGQSS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.07
Rot. Bonds3

About 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 53015682) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID53015682
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccccc2)c(-n2cccc2)c1C(N)=O
InChIInChI=1S/C15H14N4O/c1-11-13(14(16)20)15(18-9-5-6-10-18)19(17-11)12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,20)
InChIKeyGCNOBWCHPKGQSS-UHFFFAOYSA-N
XLogP2.07
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 53015682) is 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(N)=O.
What is the InChIKey of 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is GCNOBWCHPKGQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-11-13(14(16)20)15(18-9-5-6-10-18)19(17-11)12-7-3-2-4-8-12/h2-10H,1H3,(H2,16,20).
What are the key properties of 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 53015682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).