N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide

C14H23N3O — CID 126801316

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide
SMILESCC(=CC(=O)NCc1cnn(C)c1C)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(3,4)5)7-13(18)15-8-12-9-16-17(6)11(12)2/h7,9H,8H2,1-6H3,(H,15,18)
InChIKeyQCGJHTLWCKFQID-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.34
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide (PubChem CID 126801316) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide
PubChem CID126801316
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide
SMILESCC(=CC(=O)NCc1cnn(C)c1C)C(C)(C)C
InChIInChI=1S/C14H23N3O/c1-10(14(3,4)5)7-13(18)15-8-12-9-16-17(6)11(12)2/h7,9H,8H2,1-6H3,(H,15,18)
InChIKeyQCGJHTLWCKFQID-UHFFFAOYSA-N
XLogP2.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,3-dimethylbut-1-en-2-amine
CID 118118791
(E)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 19571682
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-3-sulfanylidenepropanamide
CID 106035269
1-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenyl]ethanone
CID 113259835
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
N-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethyl]acetamide
CID 79579132
5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
(E)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 844492
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide (CID 126801316) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide is CC(=CC(=O)NCc1cnn(C)c1C)C(C)(C)C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide?
The InChIKey is QCGJHTLWCKFQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(14(3,4)5)7-13(18)15-8-12-9-16-17(6)11(12)2/h7,9H,8H2,1-6H3,(H,15,18).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide has a molecular weight of 249.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4,4-trimethylpent-2-enamide is sourced from PubChem (CID 126801316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).