N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C11H11N3O — CID 18870913

IUPACN-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)
InChIKeyJNPCKQOIIRKYRO-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.44
Rot. Bonds2

About N-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 18870913) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID18870913
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC NameN-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14)
InChIKeyJNPCKQOIIRKYRO-UHFFFAOYSA-N
XLogP1.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 18870913) is N-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is CNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is JNPCKQOIIRKYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-12-11(15)10-7-9(13-14-10)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)(H,13,14).
What are the key properties of N-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 201.23 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 18870913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).