2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

C14H17N3O — CID 60736020

IUPAC2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C14H17N3O/c1-9-4-5-10(2)13(6-9)14(18)15-7-12-8-16-17-11(12)3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKYGJSKXJSAKSMS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds3

About 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide

2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (PubChem CID 60736020) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
PubChem CID60736020
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
SMILESCc1ccc(C)c(C(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C14H17N3O/c1-9-4-5-10(2)13(6-9)14(18)15-7-12-8-16-17-11(12)3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyKYGJSKXJSAKSMS-UHFFFAOYSA-N
XLogP2.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-hydroxyprop-1-ynyl)-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 65311338
3,6-dimethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 103428946
2,5-dimethoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736054
N-[(2-hydroxyphenyl)methyl]-2,5-dimethylbenzamide
CID 115598856
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(propylamino)benzamide
CID 62177273
2-[2-(methylamino)ethyl]-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 104547624
5-bromo-2-iodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896855
2,3,4,5,6-pentamethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 61003845
2-hydroxy-3,5-diiodo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 54896329
5-chloro-2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzamide
CID 115532278
3,4-difluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 60736056
2-methyl-5-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]benzoic acid
CID 63652843

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide (CID 60736020) is 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is Cc1ccc(C)c(C(=O)NCc2cn[nH]c2C)c1.
What is the InChIKey of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
The InChIKey is KYGJSKXJSAKSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-4-5-10(2)13(6-9)14(18)15-7-12-8-16-17-11(12)3/h4-6,8H,7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide?
2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide has a molecular weight of 243.31 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 60736020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).