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

C18H25N3O — CID 42686116

IUPACN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)CC(C)(C)C)c(C)c1
InChIInChI=1S/C18H25N3O/c1-11-7-8-14(12(2)9-11)17-16(13(3)20-21-17)19-15(22)10-18(4,5)6/h7-9H,10H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyWYWPYIGOILDWIX-UHFFFAOYSA-N
MW299.42 g/mol
LogP4.38
Rot. Bonds3

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

N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (PubChem CID 42686116) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
PubChem CID42686116
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
SMILESCc1ccc(-c2n[nH]c(C)c2NC(=O)CC(C)(C)C)c(C)c1
InChIInChI=1S/C18H25N3O/c1-11-7-8-14(12(2)9-11)17-16(13(3)20-21-17)19-15(22)10-18(4,5)6/h7-9H,10H2,1-6H3,(H,19,22)(H,20,21)
InChIKeyWYWPYIGOILDWIX-UHFFFAOYSA-N
XLogP4.38
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686204
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-(4-methoxyphenyl)acetamide
CID 42874069
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclopropanecarboxamide
CID 42686114
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686125
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-2-fluorobenzamide
CID 42686121
1-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)urea
CID 42874323
3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazole-4-carbaldehyde
CID 82113593
3-(2,4-dimethylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43546863
3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106516910
N-[3-(2,4-dimethylphenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686209
benzyl N-[3-(2,4-dimethylphenyl)-5-ethyl-1H-pyrazol-4-yl]carbamate
CID 42874075
5-chloro-3-(2,4-dimethylphenyl)-1H-pyrazole-4-carboxylic acid
CID 82297653

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide (CID 42686116) is N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide is Cc1ccc(-c2n[nH]c(C)c2NC(=O)CC(C)(C)C)c(C)c1.
What is the InChIKey of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
The InChIKey is WYWPYIGOILDWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-11-7-8-14(12(2)9-11)17-16(13(3)20-21-17)19-15(22)10-18(4,5)6/h7-9H,10H2,1-6H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide?
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide has a molecular weight of 299.42 g/mol, XLogP of 4.38, 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]-3,3-dimethylbutanamide is sourced from PubChem (CID 42686116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).