N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide

C20H26N4O3 — CID 55674580

IUPACN-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
SMILESCCCCn1nccc1NC(=O)C(C)NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H26N4O3/c1-4-5-14-24-18(12-13-21-24)23-20(26)15(2)22-19(25)11-8-16-6-9-17(27-3)10-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,25)(H,23,26)/b11-8+
InChIKeyIMOVDXVXWNIRTP-DHZHZOJOSA-N
MW370.45 g/mol
LogP2.85
Rot. Bonds9

About N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide

N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide (PubChem CID 55674580) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
PubChem CID55674580
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
SMILESCCCCn1nccc1NC(=O)C(C)NC(=O)/C=C/c1ccc(OC)cc1
InChIInChI=1S/C20H26N4O3/c1-4-5-14-24-18(12-13-21-24)23-20(26)15(2)22-19(25)11-8-16-6-9-17(27-3)10-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,25)(H,23,26)/b11-8+
InChIKeyIMOVDXVXWNIRTP-DHZHZOJOSA-N
XLogP2.85
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.85
H-Bond Donors ≤ 52
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-(2-butylpyrazol-3-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 86983051
(1-butyltetrazol-5-yl)methyl (2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoate
CID 7608080
(E)-3-(4-propoxyphenyl)-N-(2-propylpyrazol-3-yl)prop-2-enamide
CID 55778222
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49363843
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(1-propylpiperidin-4-yl)propanamide
CID 102603957
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)propanamide
CID 91943875
N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 86883847
(E)-N-[(2-ethylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 19294500
N-(3-hydroxyphenyl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 78783119
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-[3-(4-methoxyphenyl)prop-2-enoylamino]propanamide
CID 55521357

Frequently Asked Questions

What is the IUPAC name of N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
The IUPAC name of N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide (CID 55674580) is N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide.
What is the SMILES notation for N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
The canonical SMILES for N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide is CCCCn1nccc1NC(=O)C(C)NC(=O)/C=C/c1ccc(OC)cc1.
What is the InChIKey of N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
The InChIKey is IMOVDXVXWNIRTP-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-5-14-24-18(12-13-21-24)23-20(26)15(2)22-19(25)11-8-16-6-9-17(27-3)10-7-16/h6-13,15H,4-5,14H2,1-3H3,(H,22,25)(H,23,26)/b11-8+.
What are the key properties of N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide?
N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide has a molecular weight of 370.45 g/mol, XLogP of 2.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butylpyrazol-3-yl)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide is sourced from PubChem (CID 55674580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).