5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

C14H16ClN3O — CID 18279655

IUPAC5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-8-5-9(2)7-11(6-8)16-14(19)12-10(3)17-18(4)13(12)15/h5-7H,1-4H3,(H,16,19)
InChIKeyLDIHWERIEKVQDY-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.25
Rot. Bonds2

About 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide

5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 18279655) has the molecular formula C14H16ClN3O and a molecular weight of 277.76 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID18279655
Molecular FormulaC14H16ClN3O
Molecular Weight277.76 g/mol
Exact Mass277.10
IUPAC Name5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2c(C)nn(C)c2Cl)c1
InChIInChI=1S/C14H16ClN3O/c1-8-5-9(2)7-11(6-8)16-14(19)12-10(3)17-18(4)13(12)15/h5-7H,1-4H3,(H,16,19)
InChIKeyLDIHWERIEKVQDY-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(4-iodophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 18279909
N-(3-acetylphenyl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 47137762
5-chloro-N-(4-methoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 47137680
N-(3,5-dichloro-4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 82884303
N-(1-acetyl-2,3-dihydroindol-5-yl)-5-chloro-1,3-dimethylpyrazole-4-carboxamide
CID 18205048
5-chloro-N-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 47143740
5-chloro-1,3-dimethyl-N-[3-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]pyrazole-4-carboxamide
CID 51951606
5-chloro-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 33254001
5-chloro-1,3-dimethyl-N-[3-(2-pyridin-2-ylethynyl)phenyl]pyrazole-4-carboxamide
CID 31404536
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
N-(3,5-dimethylphenyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 51304581
1-butyl-5-chloro-3-methyl-N-(3-methylphenyl)pyrazole-4-carboxamide
CID 9038891

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 18279655) is 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1cc(C)cc(NC(=O)c2c(C)nn(C)c2Cl)c1.
What is the InChIKey of 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is LDIHWERIEKVQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-8-5-9(2)7-11(6-8)16-14(19)12-10(3)17-18(4)13(12)15/h5-7H,1-4H3,(H,16,19).
What are the key properties of 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 277.76 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 18279655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).