N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide

C23H23F2N5O2 — CID 86829174

IUPACN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESNc1cc(CCCNC(=O)C2CCN(c3cc(F)cc(F)c3)C2=O)nn1-c1ccccc1
InChIInChI=1S/C23H23F2N5O2/c24-15-11-16(25)13-19(12-15)29-10-8-20(23(29)32)22(31)27-9-4-5-17-14-21(26)30(28-17)18-6-2-1-3-7-18/h1-3,6-7,11-14,20H,4-5,8-10,26H2,(H,27,31)
InChIKeyWPAIWXIRQQCELO-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.83
Rot. Bonds7

About N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 86829174) has the molecular formula C23H23F2N5O2 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID86829174
Molecular FormulaC23H23F2N5O2
Molecular Weight439.47 g/mol
Exact Mass439.18
IUPAC NameN-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide
SMILESNc1cc(CCCNC(=O)C2CCN(c3cc(F)cc(F)c3)C2=O)nn1-c1ccccc1
InChIInChI=1S/C23H23F2N5O2/c24-15-11-16(25)13-19(12-15)29-10-8-20(23(29)32)22(31)27-9-4-5-17-14-21(26)30(28-17)18-6-2-1-3-7-18/h1-3,6-7,11-14,20H,4-5,8-10,26H2,(H,27,31)
InChIKeyWPAIWXIRQQCELO-UHFFFAOYSA-N
XLogP2.83
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 86829175
3-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890529
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119890544
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]piperidine-3-carboxamide
CID 119890509
(3S)-2-oxo-1-phenyl-N-(3-pyridin-4-ylpropyl)pyrrolidine-3-carboxamide
CID 25288656
2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]acetamide;dihydrochloride
CID 119890560
1-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]cyclopentane-1-carboxamide
CID 119890537
1-(3-bromophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 55833403
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide
CID 119890553
1-(3-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-2-oxopyrrolidine-3-carboxamide
CID 46062378
(2S)-2-amino-N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-3-methylbutanamide;dihydrochloride
CID 119890552
(3R)-1-(4-chlorophenyl)-2-oxo-N-(3-phenylpropyl)pyrrolidine-3-carboxamide
CID 95056108

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide (CID 86829174) is N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide is Nc1cc(CCCNC(=O)C2CCN(c3cc(F)cc(F)c3)C2=O)nn1-c1ccccc1.
What is the InChIKey of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is WPAIWXIRQQCELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N5O2/c24-15-11-16(25)13-19(12-15)29-10-8-20(23(29)32)22(31)27-9-4-5-17-14-21(26)30(28-17)18-6-2-1-3-7-18/h1-3,6-7,11-14,20H,4-5,8-10,26H2,(H,27,31).
What are the key properties of N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide?
N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-amino-1-phenylpyrazol-3-yl)propyl]-1-(3,5-difluorophenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 86829174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).