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

C15H19N3O — CID 110731036

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C15H19N3O/c1-9-5-6-13(7-10(9)2)15(19)16-8-14-11(3)17-18-12(14)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyLSTPUUIMSIMQDJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.57
Rot. Bonds3

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide (PubChem CID 110731036) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
PubChem CID110731036
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCc2c(C)n[nH]c2C)cc1C
InChIInChI=1S/C15H19N3O/c1-9-5-6-13(7-10(9)2)15(19)16-8-14-11(3)17-18-12(14)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18)
InChIKeyLSTPUUIMSIMQDJ-UHFFFAOYSA-N
XLogP2.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-[6-[(1S)-1-hydroxyethyl]-2-pyridinyl]benzamide
CID 125448562
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylaniline
CID 43644839
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-phenylacetamide
CID 110442349
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-methyl-1H-imidazole-5-carboxamide
CID 110467498
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 110739109
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5,6-dihydro-4H-cyclopenta[c]furan-3-carboxamide
CID 126801431
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methoxy-2-methylpyridine-4-carboxamide
CID 146037964
N-[4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 46983866
3,4-dimethyl-N-(1H-pyrrol-3-ylmethyl)benzamide
CID 110782670
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,5,7-trimethyl-1H-indole-2-carboxamide
CID 46963623
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(1H-pyrazol-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide (CID 110731036) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide is Cc1ccc(C(=O)NCc2c(C)n[nH]c2C)cc1C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide?
The InChIKey is LSTPUUIMSIMQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-5-6-13(7-10(9)2)15(19)16-8-14-11(3)17-18-12(14)4/h5-7H,8H2,1-4H3,(H,16,19)(H,17,18).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide has a molecular weight of 257.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 110731036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).