(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide

C14H23N3O2 — CID 103770651

IUPAC(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCCC(CC)C(O)CNC(=O)/C=C/c1ccnn1C
InChIInChI=1S/C14H23N3O2/c1-4-11(5-2)13(18)10-15-14(19)7-6-12-8-9-16-17(12)3/h6-9,11,13,18H,4-5,10H2,1-3H3,(H,15,19)/b7-6+
InChIKeyNBDKJIDWJYDSFU-VOTSOKGWSA-N
MW265.36 g/mol
LogP1.35
Rot. Bonds7

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

(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (PubChem CID 103770651) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
PubChem CID103770651
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
SMILESCCC(CC)C(O)CNC(=O)/C=C/c1ccnn1C
InChIInChI=1S/C14H23N3O2/c1-4-11(5-2)13(18)10-15-14(19)7-6-12-8-9-16-17(12)3/h6-9,11,13,18H,4-5,10H2,1-3H3,(H,15,19)/b7-6+
InChIKeyNBDKJIDWJYDSFU-VOTSOKGWSA-N
XLogP1.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.35
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)-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-(2,2-difluoro-3-hydroxypropyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 104862783
(E)-N-(cyclopropylmethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 37036308
(E)-N-(2-methylbutan-2-yl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 37133460
methyl (2R)-3-methyl-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]butanoate
CID 37150896
(E)-N-(cyclohexylmethyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 37250970
(E)-N-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 38689220
6-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]hexanoic acid
CID 43352872
4-methyl-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]pentanoic acid
CID 43353255
3-hydroxy-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]butanoic acid
CID 43353617
3-methyl-2-[[(E)-3-(2-methylpyrazol-3-yl)prop-2-enoyl]amino]butanoic acid
CID 43353939

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide (CID 103770651) is (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is CCC(CC)C(O)CNC(=O)/C=C/c1ccnn1C.
What is the InChIKey of (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
The InChIKey is NBDKJIDWJYDSFU-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-4-11(5-2)13(18)10-15-14(19)7-6-12-8-9-16-17(12)3/h6-9,11,13,18H,4-5,10H2,1-3H3,(H,15,19)/b7-6+.
What are the key properties of (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide?
(E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide has a molecular weight of 265.36 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethyl-2-hydroxypentyl)-3-(2-methylpyrazol-3-yl)prop-2-enamide is sourced from PubChem (CID 103770651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).