1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide

C13H11ClN4O — CID 64780954

IUPAC1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccc(Cl)cc2C#N)n1
InChIInChI=1S/C13H11ClN4O/c1-17(2)13(19)11-5-6-18(16-11)12-4-3-10(14)7-9(12)8-15/h3-7H,1-2H3
InChIKeyBCMWVKUWVUKGMF-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.10
Rot. Bonds2

About 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide

1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64780954) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64780954
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ccc(Cl)cc2C#N)n1
InChIInChI=1S/C13H11ClN4O/c1-17(2)13(19)11-5-6-18(16-11)12-4-3-10(14)7-9(12)8-15/h3-7H,1-2H3
InChIKeyBCMWVKUWVUKGMF-UHFFFAOYSA-N
XLogP2.10
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide (CID 64780954) is 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ccc(Cl)cc2C#N)n1.
What is the InChIKey of 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is BCMWVKUWVUKGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-17(2)13(19)11-5-6-18(16-11)12-4-3-10(14)7-9(12)8-15/h3-7H,1-2H3.
What are the key properties of 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 274.71 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64780954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).