(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide

C14H21N3O — CID 98220062

IUPAC(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C\C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C14H21N3O/c1-2-17-11-12(10-15-17)8-9-14(18)16-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,16,18)/b9-8-
InChIKeyJCIRANCOKQYFSQ-HJWRWDBZSA-N
MW247.34 g/mol
LogP2.37
Rot. Bonds4

About (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide

(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 98220062) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide
PubChem CID98220062
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C\C(=O)NC2CCCCC2)cn1
InChIInChI=1S/C14H21N3O/c1-2-17-11-12(10-15-17)8-9-14(18)16-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,16,18)/b9-8-
InChIKeyJCIRANCOKQYFSQ-HJWRWDBZSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.37
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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Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 98220062) is (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide is CCn1cc(/C=C\C(=O)NC2CCCCC2)cn1.
What is the InChIKey of (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is JCIRANCOKQYFSQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17-11-12(10-15-17)8-9-14(18)16-13-6-4-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,16,18)/b9-8-.
What are the key properties of (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
(Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 247.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclohexyl-3-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 98220062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).