N,N-dimethyl-1-phenylpyrazole-4-carboxamide

C12H13N3O — CID 22103774

IUPACN,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H13N3O/c1-14(2)12(16)10-8-13-15(9-10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyBQBYRIVPZQVJKH-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.57
Rot. Bonds2

About N,N-dimethyl-1-phenylpyrazole-4-carboxamide

N,N-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 22103774) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID22103774
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC NameN,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C12H13N3O/c1-14(2)12(16)10-8-13-15(9-10)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyBQBYRIVPZQVJKH-UHFFFAOYSA-N
XLogP1.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-phenylpyrazole-4-carboxamide (CID 22103774) is N,N-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-phenylpyrazole-4-carboxamide is CN(C)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is BQBYRIVPZQVJKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-14(2)12(16)10-8-13-15(9-10)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
N,N-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 215.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 22103774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).