(E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

C9H13N3O2 — CID 43417446

IUPAC(E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1/C=C/C(=O)NCCO
InChIInChI=1S/C9H13N3O2/c1-12-8(4-5-11-12)2-3-9(14)10-6-7-13/h2-5,13H,6-7H2,1H3,(H,10,14)/b3-2+
InChIKeyWOSFDLSFOUXZLF-NSCUHMNNSA-N
MW195.22 g/mol
LogP-0.46
Rot. Bonds4

About (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

(E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 43417446) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID43417446
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCn1nccc1/C=C/C(=O)NCCO
InChIInChI=1S/C9H13N3O2/c1-12-8(4-5-11-12)2-3-9(14)10-6-7-13/h2-5,13H,6-7H2,1H3,(H,10,14)/b3-2+
InChIKeyWOSFDLSFOUXZLF-NSCUHMNNSA-N
XLogP-0.46
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
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-methoxy-N-methyl-3-(1-methyl-1h-pyrazol-5-yl)acrylamide
CID 60753499
(e)-N-methoxy-N-methyl-3-(1-methyl-1h-pyrazol-3-yl)acrylamide
CID 129841626
2-[3-(2-Methylpyrazol-3-yl)prop-2-enoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990260
3,3,3-Trifluoro-2-methyl-2-[3-(2-methylpyrazol-3-yl)prop-2-enoylamino]propanoic acid
CID 79792499
(E)-3-(2-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethoxy)prop-2-enamide
CID 81341009
(E)-3-(2-methylpyrazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)prop-2-enamide
CID 103755869
(E)-N-(3,3-difluoro-2-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 103770382
(E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 103915380
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 104862783
(E)-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 113964768
(E)-N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 39640766
6-(2-methylpyrazol-3-yl)-1H-pyridin-2-one
CID 138471320

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 43417446) is (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is Cn1nccc1/C=C/C(=O)NCCO.
What is the InChIKey of (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is WOSFDLSFOUXZLF-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12-8(4-5-11-12)2-3-9(14)10-6-7-13/h2-5,13H,6-7H2,1H3,(H,10,14)/b3-2+.
What are the key properties of (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
(E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 195.22 g/mol, XLogP of -0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-hydroxyethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 43417446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).