N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C19H23ClFN5O2 — CID 120932670

IUPACN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C1C(NC(=O)C2(n3cccn3)CCNCC2)CCN1c1ccccc1F
InChIInChI=1S/C19H22FN5O2.ClH/c20-14-4-1-2-5-16(14)24-13-6-15(17(24)26)23-18(27)19(7-10-21-11-8-19)25-12-3-9-22-25;/h1-5,9,12,15,21H,6-8,10-11,13H2,(H,23,27);1H
InChIKeyNLGWQDLWNATJOY-UHFFFAOYSA-N
MW407.88 g/mol
LogP1.44
Rot. Bonds4

About N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120932670) has the molecular formula C19H23ClFN5O2 and a molecular weight of 407.88 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120932670
Molecular FormulaC19H23ClFN5O2
Molecular Weight407.88 g/mol
Exact Mass407.15
IUPAC NameN-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCl.O=C1C(NC(=O)C2(n3cccn3)CCNCC2)CCN1c1ccccc1F
InChIInChI=1S/C19H22FN5O2.ClH/c20-14-4-1-2-5-16(14)24-13-6-15(17(24)26)23-18(27)19(7-10-21-11-8-19)25-12-3-9-22-25;/h1-5,9,12,15,21H,6-8,10-11,13H2,(H,23,27);1H
InChIKeyNLGWQDLWNATJOY-UHFFFAOYSA-N
XLogP1.44
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119785319
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120935433
N-(1-benzyl-2-oxopyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120928772
[4-(2-fluorophenyl)piperazin-1-yl]-(4-pyrazol-1-ylpiperidin-4-yl)methanone;dihydrochloride
CID 120937676
1-[(3R)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-3-pyridin-2-ylurea
CID 95979903
N-(1-cyclopropylpyrrolidin-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120940159
N-(4-fluorophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120917012
2-amino-N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 119324605
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120939658
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]morpholine-3-carboxamide;hydrochloride
CID 119785285
N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930358
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920206

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120932670) is N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cl.O=C1C(NC(=O)C2(n3cccn3)CCNCC2)CCN1c1ccccc1F.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NLGWQDLWNATJOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2.ClH/c20-14-4-1-2-5-16(14)24-13-6-15(17(24)26)23-18(27)19(7-10-21-11-8-19)25-12-3-9-22-25;/h1-5,9,12,15,21H,6-8,10-11,13H2,(H,23,27);1H.
What are the key properties of N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 407.88 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120932670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).