N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C16H21N3O — CID 61259565

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C16H21N3O/c1-9-6-7-10(2)14(8-9)11(3)17-16(20)15-12(4)18-19-13(15)5/h6-8,11H,1-5H3,(H,17,20)(H,18,19)
InChIKeyCVLGJXQSAVGWCM-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.13
Rot. Bonds3

About N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61259565) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61259565
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2c(C)n[nH]c2C)c1
InChIInChI=1S/C16H21N3O/c1-9-6-7-10(2)14(8-9)11(3)17-16(20)15-12(4)18-19-13(15)5/h6-8,11H,1-5H3,(H,17,20)(H,18,19)
InChIKeyCVLGJXQSAVGWCM-UHFFFAOYSA-N
XLogP3.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,5-difluorophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61276301
4-bromo-N-[1-(2,5-dimethylphenyl)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560253
N-[1-(3-bromophenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 54896629
N-[1-(2,5-dimethylphenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 42907042
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
3,5-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 113357186
N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17327235
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-(2-bromo-5-methylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 82766572
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzamide
CID 1225343
N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 6468570
5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626107

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61259565) is N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2c(C)n[nH]c2C)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is CVLGJXQSAVGWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-9-6-7-10(2)14(8-9)11(3)17-16(20)15-12(4)18-19-13(15)5/h6-8,11H,1-5H3,(H,17,20)(H,18,19).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).