(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C15H23N3O2 — CID 102684462

IUPAC(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H23N3O2/c1-11-14(12(2)17(3)16-11)7-8-15(20)18(9-10-19)13-5-4-6-13/h7-8,13,19H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyYXLOEMGCVCTCJA-BQYQJAHWSA-N
MW277.37 g/mol
LogP1.42
Rot. Bonds5

About (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 102684462) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID102684462
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1/C=C/C(=O)N(CCO)C1CCC1
InChIInChI=1S/C15H23N3O2/c1-11-14(12(2)17(3)16-11)7-8-15(20)18(9-10-19)13-5-4-6-13/h7-8,13,19H,4-6,9-10H2,1-3H3/b8-7+
InChIKeyYXLOEMGCVCTCJA-BQYQJAHWSA-N
XLogP1.42
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-hydroxyethyl)-N-prop-2-enyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 115776283
methyl 2-[propyl-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]acetate
CID 76912431
(E)-1-(3,4-dihydroxypyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 106671386
(E)-1-piperidin-1-yl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 31462086
(E)-N-(1-hydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 43419193
N-[(2-hydroxycyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77050229
N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 76941637
(2R)-2-[3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoylamino]propanoic acid
CID 78972942
(E)-N-cyclobutyl-3-(4-fluorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 102684272
N-(1,3-dihydroxypropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77064785
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102684082
(E)-N-(1-hydroxy-3-methylpentan-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 103945930

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 102684462) is (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(C)c1/C=C/C(=O)N(CCO)C1CCC1.
What is the InChIKey of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is YXLOEMGCVCTCJA-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-14(12(2)17(3)16-11)7-8-15(20)18(9-10-19)13-5-4-6-13/h7-8,13,19H,4-6,9-10H2,1-3H3/b8-7+.
What are the key properties of (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
(E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 277.37 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclobutyl-N-(2-hydroxyethyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 102684462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).