(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide

C16H23N5O — CID 19466719

IUPAC(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NC(C)c2cn(CC)nc2C)cn1
InChIInChI=1S/C16H23N5O/c1-5-20-10-14(9-17-20)7-8-16(22)18-12(3)15-11-21(6-2)19-13(15)4/h7-12H,5-6H2,1-4H3,(H,18,22)/b8-7+
InChIKeyUXJUXRQCZPTIJI-BQYQJAHWSA-N
MW301.39 g/mol
LogP2.32
Rot. Bonds6

About (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide

(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide (PubChem CID 19466719) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
PubChem CID19466719
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
SMILESCCn1cc(/C=C/C(=O)NC(C)c2cn(CC)nc2C)cn1
InChIInChI=1S/C16H23N5O/c1-5-20-10-14(9-17-20)7-8-16(22)18-12(3)15-11-21(6-2)19-13(15)4/h7-12H,5-6H2,1-4H3,(H,18,22)/b8-7+
InChIKeyUXJUXRQCZPTIJI-BQYQJAHWSA-N
XLogP2.32
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
CID 19466720
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19462835
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19462853
(E)-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19329977
1-butyl-3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]urea
CID 19414910
1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622483
ethyl (E)-3-(1-ethylpyrazol-4-yl)prop-2-enoate
CID 118170825
(E)-N-[1-(2-methylphenyl)ethyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 18192277
(E)-N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19329117
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476128

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide (CID 19466719) is (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide is CCn1cc(/C=C/C(=O)NC(C)c2cn(CC)nc2C)cn1.
What is the InChIKey of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is UXJUXRQCZPTIJI-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H23N5O/c1-5-20-10-14(9-17-20)7-8-16(22)18-12(3)15-11-21(6-2)19-13(15)4/h7-12H,5-6H2,1-4H3,(H,18,22)/b8-7+.
What are the key properties of (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide?
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 301.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 19466719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).