(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

C23H26N4O — CID 35744788

IUPAC(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
SMILESCCCCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H26N4O/c1-3-5-16-26(4-2)22(28)14-13-20-18-27(21-11-7-6-8-12-21)25-23(20)19-10-9-15-24-17-19/h6-15,17-18H,3-5,16H2,1-2H3/b14-13+
InChIKeyZLJKGNBNKFUFMB-BUHFOSPRSA-N
MW374.49 g/mol
LogP4.60
Rot. Bonds8

About (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 35744788) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
PubChem CID35744788
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
SMILESCCCCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C23H26N4O/c1-3-5-16-26(4-2)22(28)14-13-20-18-27(21-11-7-6-8-12-21)25-23(20)19-10-9-15-24-17-19/h6-15,17-18H,3-5,16H2,1-2H3/b14-13+
InChIKeyZLJKGNBNKFUFMB-BUHFOSPRSA-N
XLogP4.60
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.60
H-Bond Donors ≤ 50
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-benzyl-N-(2-methoxyethyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 46555018
3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770992
N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 4784426
1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 2876111
(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide
CID 9479636
(E)-N-tert-butyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 78777734
3-[3-(3-bromophenyl)-1-phenylpyrazol-4-yl]-N,N-diethylprop-2-enamide
CID 1322616
N,N-diethyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 1087057
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
N,N-diethyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1340732
(Z)-N,N-diethyl-3-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)prop-2-enamide
CID 175921342
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504

Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide (CID 35744788) is (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide is CCCCN(CC)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1.
What is the InChIKey of (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZLJKGNBNKFUFMB-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-5-16-26(4-2)22(28)14-13-20-18-27(21-11-7-6-8-12-21)25-23(20)19-10-9-15-24-17-19/h6-15,17-18H,3-5,16H2,1-2H3/b14-13+.
What are the key properties of (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 374.49 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 35744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).