(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C22H21N3O — CID 38271246

IUPAC(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H21N3O/c26-22(24(20-12-13-20)16-18-7-3-1-4-8-18)14-11-19-15-23-25(17-19)21-9-5-2-6-10-21/h1-11,14-15,17,20H,12-13,16H2/b14-11+
InChIKeyYRQDLDLTDDURQT-SDNWHVSQSA-N
MW343.43 g/mol
LogP4.08
Rot. Bonds6

About (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 38271246) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID38271246
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)N(Cc1ccccc1)C1CC1
InChIInChI=1S/C22H21N3O/c26-22(24(20-12-13-20)16-18-7-3-1-4-8-18)14-11-19-15-23-25(17-19)21-9-5-2-6-10-21/h1-11,14-15,17,20H,12-13,16H2/b14-11+
InChIKeyYRQDLDLTDDURQT-SDNWHVSQSA-N
XLogP4.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-4-(dimethylamino)-N-[(1-phenylpyrazol-4-yl)methyl]but-2-enamide
CID 146098115
N-(4-cyanophenyl)-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 154751307
(E)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 97046683
(Z)-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 97462604
(E)-3-(1-phenylpyrazol-4-yl)-N,N-bis(thiophen-2-ylmethyl)prop-2-enamide
CID 31839809
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
1-benzyl-1-cyclopropyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]urea
CID 55793583
(E)-N-(1-hydroxypropan-2-yl)-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 109388413
(E)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 46534299
N-[(1-benzylpyrrol-2-yl)methyl]-N-cyclopropyl-3-phenylprop-2-enamide
CID 4024183
(E)-N-[(5-bromothiophen-2-yl)methyl]-N-methyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55414593

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 38271246) is (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is O=C(/C=C/c1cnn(-c2ccccc2)c1)N(Cc1ccccc1)C1CC1.
What is the InChIKey of (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is YRQDLDLTDDURQT-SDNWHVSQSA-N. The full InChI is InChI=1S/C22H21N3O/c26-22(24(20-12-13-20)16-18-7-3-1-4-8-18)14-11-19-15-23-25(17-19)21-9-5-2-6-10-21/h1-11,14-15,17,20H,12-13,16H2/b14-11+.
What are the key properties of (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 343.43 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-N-cyclopropyl-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 38271246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).