(E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide

C20H24N4O2 — CID 121279535

IUPAC(E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)/C=C/c3ccccc3)C2)n[nH]1
InChIInChI=1S/C20H24N4O2/c1-14(2)17-12-18(23-22-17)20(26)24-11-10-16(13-24)21-19(25)9-8-15-6-4-3-5-7-15/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,21,25)(H,22,23)/b9-8+
InChIKeyBSDDJVFXIZRSFP-CMDGGOBGSA-N
MW352.44 g/mol
LogP2.58
Rot. Bonds5

About (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide

(E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide (PubChem CID 121279535) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide
PubChem CID121279535
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide
SMILESCC(C)c1cc(C(=O)N2CCC(NC(=O)/C=C/c3ccccc3)C2)n[nH]1
InChIInChI=1S/C20H24N4O2/c1-14(2)17-12-18(23-22-17)20(26)24-11-10-16(13-24)21-19(25)9-8-15-6-4-3-5-7-15/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,21,25)(H,22,23)/b9-8+
InChIKeyBSDDJVFXIZRSFP-CMDGGOBGSA-N
XLogP2.58
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide?
The IUPAC name of (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide (CID 121279535) is (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide is CC(C)c1cc(C(=O)N2CCC(NC(=O)/C=C/c3ccccc3)C2)n[nH]1.
What is the InChIKey of (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide?
The InChIKey is BSDDJVFXIZRSFP-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(2)17-12-18(23-22-17)20(26)24-11-10-16(13-24)21-19(25)9-8-15-6-4-3-5-7-15/h3-9,12,14,16H,10-11,13H2,1-2H3,(H,21,25)(H,22,23)/b9-8+.
What are the key properties of (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide?
(E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide has a molecular weight of 352.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]prop-2-enamide is sourced from PubChem (CID 121279535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).