1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride

C19H25ClN4O3 — CID 167824269

IUPAC1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride
SMILESCC(=O)C1CNC(C(=O)N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)C1.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-12(24)14-9-17(20-11-14)19(25)23-6-4-13(5-7-23)15-10-16(22-21-15)18-3-2-8-26-18;/h2-3,8,10,13-14,17,20H,4-7,9,11H2,1H3,(H,21,22);1H
InChIKeyJEPFIWSEWQUMBJ-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.36
Rot. Bonds4

About 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride

1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride (PubChem CID 167824269) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride
PubChem CID167824269
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride
SMILESCC(=O)C1CNC(C(=O)N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)C1.Cl
InChIInChI=1S/C19H24N4O3.ClH/c1-12(24)14-9-17(20-11-14)19(25)23-6-4-13(5-7-23)15-10-16(22-21-15)18-3-2-8-26-18;/h2-3,8,10,13-14,17,20H,4-7,9,11H2,1H3,(H,21,22);1H
InChIKeyJEPFIWSEWQUMBJ-UHFFFAOYSA-N
XLogP2.36
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone
CID 167824270
1-(5-chloro-1-methylpyrazol-4-yl)sulfonyl-4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 162361021
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]methanone
CID 126808000
1-azabicyclo[2.2.2]octan-2-yl-[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 138808918
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 121019667
cyclopropyl-[3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-1-yl]methanone
CID 110223798
[4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 71830195
[4-(furan-2-ylmethyl)piperazin-1-yl]-(4-methoxypyrrolidin-2-yl)methanone
CID 61213622
[4-[3-(2-chlorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 56720560
4-acetyl-N-[3-(4-acetylpiperazin-1-yl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 167881640
piperidin-4-yl-[4-[3-(pyridin-2-ylamino)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95821013
[5-(furan-2-yl)-1H-pyrazol-3-yl]-[4-(2-methyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 87042114

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride?
The IUPAC name of 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride (CID 167824269) is 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride is CC(=O)C1CNC(C(=O)N2CCC(c3cc(-c4ccco4)n[nH]3)CC2)C1.Cl.
What is the InChIKey of 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride?
The InChIKey is JEPFIWSEWQUMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3.ClH/c1-12(24)14-9-17(20-11-14)19(25)23-6-4-13(5-7-23)15-10-16(22-21-15)18-3-2-8-26-18;/h2-3,8,10,13-14,17,20H,4-7,9,11H2,1H3,(H,21,22);1H.
What are the key properties of 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride?
1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride has a molecular weight of 392.89 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[3-(furan-2-yl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyrrolidin-3-yl]ethanone;hydrochloride is sourced from PubChem (CID 167824269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).