N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide

C11H17N3O — CID 166406116

IUPACN-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C11H17N3O/c1-6-10(15)12-9-7-8(11(2,3)4)13-14(9)5/h6-7H,1H2,2-5H3,(H,12,15)
InChIKeyKEJVYWARTCCGRH-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.84
Rot. Bonds2

About N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide

N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide (PubChem CID 166406116) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
PubChem CID166406116
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC NameN-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cc(C(C)(C)C)nn1C
InChIInChI=1S/C11H17N3O/c1-6-10(15)12-9-7-8(11(2,3)4)13-14(9)5/h6-7H,1H2,2-5H3,(H,12,15)
InChIKeyKEJVYWARTCCGRH-UHFFFAOYSA-N
XLogP1.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.84
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-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 6489269
N-(3-tert-butyl-1-methylpyrazol-5-yl)pyridine-3-carboxamide
CID 39965447
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-pyrimidin-2-ylsulfanylacetamide
CID 47057295
N-(3-tert-butyl-1-methylpyrazol-5-yl)-2-(2-chlorophenyl)acetamide
CID 60594734
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
N-(3-tert-butyl-1-methylpyrazol-5-yl)-4-(dimethylsulfamoyl)benzamide
CID 22110535
1-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-methoxyphenyl)urea
CID 2811926
N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-2,2-dichloro-N-propylacetamide
CID 1060776
N-[5-methyl-2-[[2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 90333548
2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-5-methylbenzoic acid
CID 69276840
2-[acetyl(butyl)amino]-N-(3-tert-butyl-1-methylpyrazol-5-yl)acetamide
CID 42740478
(3S)-N-(3-tert-butyl-1-methylpyrazol-5-yl)-6-oxopiperidine-3-carboxamide
CID 95274619

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide?
The IUPAC name of N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide (CID 166406116) is N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide?
The canonical SMILES for N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide is C=CC(=O)Nc1cc(C(C)(C)C)nn1C.
What is the InChIKey of N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide?
The InChIKey is KEJVYWARTCCGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-6-10(15)12-9-7-8(11(2,3)4)13-14(9)5/h6-7H,1H2,2-5H3,(H,12,15).
What are the key properties of N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide?
N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide has a molecular weight of 207.28 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1-methylpyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 166406116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).