(E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide

C14H14ClN3O — CID 19399605

IUPAC(E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccccc2Cl)cnn1C
InChIInChI=1S/C14H14ClN3O/c1-10-13(9-16-18(10)2)17-14(19)8-7-11-5-3-4-6-12(11)15/h3-9H,1-2H3,(H,17,19)/b8-7+
InChIKeyOWRDARWZVGAQDX-BQYQJAHWSA-N
MW275.74 g/mol
LogP3.03
Rot. Bonds3

About (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 19399605) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide
PubChem CID19399605
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name(E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1c(NC(=O)/C=C/c2ccccc2Cl)cnn1C
InChIInChI=1S/C14H14ClN3O/c1-10-13(9-16-18(10)2)17-14(19)8-7-11-5-3-4-6-12(11)15/h3-9H,1-2H3,(H,17,19)/b8-7+
InChIKeyOWRDARWZVGAQDX-BQYQJAHWSA-N
XLogP3.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.03
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

(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
(E)-3-(2-chlorophenyl)-N-(4-methyl-1H-pyrazol-5-yl)prop-2-enamide
CID 112691402
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-4-methylphenyl]prop-2-enamide
CID 6234801
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
(E)-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-3-(2-chlorophenyl)prop-2-enamide
CID 19294764
3-(2-chlorophenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 966049
(E)-3-(2-chlorophenyl)-N-[6-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2-pyridinyl]prop-2-enamide
CID 6025623
(E)-3-(2-chlorophenyl)-N-[(1,5-dimethylpyrazol-3-yl)methyl]prop-2-enamide
CID 19328842
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[[(E)-3-(1-ethyl-5-methylpyrazol-4-yl)prop-2-enoyl]amino]pyrazole-5-carboxamide
CID 19339776
ethyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 692627
(E)-3-(2-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 966348
3-(2-chlorophenyl)-N-[1-(5-oxohexyl)pyrazol-4-yl]prop-2-enamide
CID 66928257

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide (CID 19399605) is (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide is Cc1c(NC(=O)/C=C/c2ccccc2Cl)cnn1C.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is OWRDARWZVGAQDX-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-10-13(9-16-18(10)2)17-14(19)8-7-11-5-3-4-6-12(11)15/h3-9H,1-2H3,(H,17,19)/b8-7+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 275.74 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(1,5-dimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 19399605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).