N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide

C17H23N3O — CID 43074025

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)CC(C)(C)C)n1
InChIInChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)15-9-7-6-8-14(15)18-16(21)11-17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21)
InChIKeyZCAOJAHDRIQFFC-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide (PubChem CID 43074025) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
PubChem CID43074025
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide
SMILESCc1cc(C)n(-c2ccccc2NC(=O)CC(C)(C)C)n1
InChIInChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)15-9-7-6-8-14(15)18-16(21)11-17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21)
InChIKeyZCAOJAHDRIQFFC-UHFFFAOYSA-N
XLogP3.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(2-hydroxyphenyl)acetamide
CID 52847994
3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-(2-hydroxy-2-methylpropyl)-1-methylurea
CID 111754558
2-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-N-ethylacetamide
CID 86988542
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3-(prop-2-enoylamino)propanamide
CID 71912633
2-(4-bromophenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 43074030
methyl (3R)-3-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoylamino]-4-methoxy-3-methylbutanoate
CID 97004143
tert-butyl 4-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 47033792
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-ethylbenzamide
CID 38760630
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 43074055
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]acetamide
CID 51646169
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 47025805
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 55670156

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide (CID 43074025) is N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide is Cc1cc(C)n(-c2ccccc2NC(=O)CC(C)(C)C)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide?
The InChIKey is ZCAOJAHDRIQFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-10-13(2)20(19-12)15-9-7-6-8-14(15)18-16(21)11-17(3,4)5/h6-10H,11H2,1-5H3,(H,18,21).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide?
N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide has a molecular weight of 285.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 43074025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).