(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide

C17H25N5O — CID 19466720

IUPAC(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
SMILESCCn1cc(C(C)NC(=O)/C=C/c2cnn(CC)c2C)c(C)n1
InChIInChI=1S/C17H25N5O/c1-6-21-11-16(13(4)20-21)12(3)19-17(23)9-8-15-10-18-22(7-2)14(15)5/h8-12H,6-7H2,1-5H3,(H,19,23)/b9-8+
InChIKeyNHBXUXKNBLCULC-CMDGGOBGSA-N
MW315.42 g/mol
LogP2.63
Rot. Bonds6

About (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide

(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide (PubChem CID 19466720) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
PubChem CID19466720
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide
SMILESCCn1cc(C(C)NC(=O)/C=C/c2cnn(CC)c2C)c(C)n1
InChIInChI=1S/C17H25N5O/c1-6-21-11-16(13(4)20-21)12(3)19-17(23)9-8-15-10-18-22(7-2)14(15)5/h8-12H,6-7H2,1-5H3,(H,19,23)/b9-8+
InChIKeyNHBXUXKNBLCULC-CMDGGOBGSA-N
XLogP2.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.63
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)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(1-ethylpyrazol-4-yl)prop-2-enamide
CID 19466719
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19462835
4-bromo-1-ethyl-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-5-carboxamide
CID 19476696
3-(4-bromo-5-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 19570207
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]prop-2-enamide
CID 19281888
(E)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
CID 19462853
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476128
1-butyl-3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]urea
CID 19414910
3-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylcarbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19624001
2-(4-bromo-3-methylpyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]propanamide
CID 17020935
1-[1-[1-(1-ethyl-3-methylpyrazol-4-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622483

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide (CID 19466720) is (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide is CCn1cc(C(C)NC(=O)/C=C/c2cnn(CC)c2C)c(C)n1.
What is the InChIKey of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide?
The InChIKey is NHBXUXKNBLCULC-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H25N5O/c1-6-21-11-16(13(4)20-21)12(3)19-17(23)9-8-15-10-18-22(7-2)14(15)5/h8-12H,6-7H2,1-5H3,(H,19,23)/b9-8+.
What are the key properties of (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide?
(E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide has a molecular weight of 315.42 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-ethyl-5-methylpyrazol-4-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 19466720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).