N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide

C17H21N3O — CID 42686125

IUPACN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCC2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-10-7-8-14(11(2)9-10)16-15(12(3)19-20-16)18-17(21)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyTXZOLYAWCZLFCI-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.74
Rot. Bonds3

About N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide

N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide (PubChem CID 42686125) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
PubChem CID42686125
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCC2)c(C)c1
InChIInChI=1S/C17H21N3O/c1-10-7-8-14(11(2)9-10)16-15(12(3)19-20-16)18-17(21)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyTXZOLYAWCZLFCI-UHFFFAOYSA-N
XLogP3.74
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686209
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686116
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686121
N-[5-methyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686470
1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874323
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
N-(3,5-dimethyl-1H-pyrazol-4-yl)piperidine-4-carboxamide
CID 43547730
3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82113593
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide (CID 42686125) is N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide is Cc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCC2)c(C)c1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide?
The InChIKey is TXZOLYAWCZLFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-7-8-14(11(2)9-10)16-15(12(3)19-20-16)18-17(21)13-5-4-6-13/h7-9,13H,4-6H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide?
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 42686125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).