(E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide

C22H30N4O2 — CID 87290562

IUPAC(E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCc1n[nH]c(CC)c1CCN1CCCC1c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C22H30N4O2/c1-3-19-18(20(4-2)24-23-19)13-15-26-14-5-6-21(26)17-10-7-16(8-11-17)9-12-22(27)25-28/h7-12,21,28H,3-6,13-15H2,1-2H3,(H,23,24)(H,25,27)/b12-9+
InChIKeyIZCLFFCCAARHTA-FMIVXFBMSA-N
MW382.51 g/mol
LogP3.43
Rot. Bonds8

About (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide

(E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 87290562) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID87290562
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name(E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCc1n[nH]c(CC)c1CCN1CCCC1c1ccc(/C=C/C(=O)NO)cc1
InChIInChI=1S/C22H30N4O2/c1-3-19-18(20(4-2)24-23-19)13-15-26-14-5-6-21(26)17-10-7-16(8-11-17)9-12-22(27)25-28/h7-12,21,28H,3-6,13-15H2,1-2H3,(H,23,24)(H,25,27)/b12-9+
InChIKeyIZCLFFCCAARHTA-FMIVXFBMSA-N
XLogP3.43
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide (CID 87290562) is (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide is CCc1n[nH]c(CC)c1CCN1CCCC1c1ccc(/C=C/C(=O)NO)cc1.
What is the InChIKey of (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is IZCLFFCCAARHTA-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-19-18(20(4-2)24-23-19)13-15-26-14-5-6-21(26)17-10-7-16(8-11-17)9-12-22(27)25-28/h7-12,21,28H,3-6,13-15H2,1-2H3,(H,23,24)(H,25,27)/b12-9+.
What are the key properties of (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide?
(E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 382.51 g/mol, XLogP of 3.43, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[1-[2-(3,5-diethyl-1H-pyrazol-4-yl)ethyl]pyrrolidin-2-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 87290562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).