N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide

C14H17N3O — CID 110685886

IUPACN-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)n(C)n1
InChIInChI=1S/C14H17N3O/c1-9-5-6-12(7-10(9)2)15-14(18)13-8-11(3)16-17(13)4/h5-8H,1-4H3,(H,15,18)
InChIKeyBKQDDBSOPCKPIZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.60
Rot. Bonds2

About N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide

N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 110685886) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID110685886
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(C)c(C)c2)n(C)n1
InChIInChI=1S/C14H17N3O/c1-9-5-6-12(7-10(9)2)15-14(18)13-8-11(3)16-17(13)4/h5-8H,1-4H3,(H,15,18)
InChIKeyBKQDDBSOPCKPIZ-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzoic acid
CID 103791549
N-(6-fluoro-3-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103789986
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52694433
N-(3-methoxyphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 19481236
N-(5-bromo-2-methylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61061508
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide (CID 110685886) is N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc(C)c(C)c2)n(C)n1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BKQDDBSOPCKPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-5-6-12(7-10(9)2)15-14(18)13-8-11(3)16-17(13)4/h5-8H,1-4H3,(H,15,18).
What are the key properties of N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide?
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 110685886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).