N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide

C14H17N3O — CID 112687360

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1C
InChIInChI=1S/C14H17N3O/c1-8-5-6-12(7-9(8)2)14(18)15-13-10(3)11(4)16-17-13/h5-7H,1-4H3,(H2,15,16,17,18)
InChIKeyIMFWXOFDYQPNEW-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide (PubChem CID 112687360) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
PubChem CID112687360
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1C
InChIInChI=1S/C14H17N3O/c1-8-5-6-12(7-9(8)2)14(18)15-13-10(3)11(4)16-17-13/h5-7H,1-4H3,(H2,15,16,17,18)
InChIKeyIMFWXOFDYQPNEW-UHFFFAOYSA-N
XLogP2.90
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 112696158
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 104618861
4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 115610262
3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-nitrobenzamide
CID 104864808
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide (CID 112687360) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide?
The InChIKey is IMFWXOFDYQPNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8-5-6-12(7-9(8)2)14(18)15-13-10(3)11(4)16-17-13/h5-7H,1-4H3,(H2,15,16,17,18).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide has a molecular weight of 243.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 112687360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).