2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride

C17H23ClN4O2 — CID 154907708

IUPAC2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride
SMILESCCCc1cc(=O)n(-c2ccc(C(=O)N3CCC(N)C3)cc2)[nH]1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-3-14-10-16(22)21(19-14)15-6-4-12(5-7-15)17(23)20-9-8-13(18)11-20;/h4-7,10,13,19H,2-3,8-9,11,18H2,1H3;1H
InChIKeyGXXOKANWJPAHKU-UHFFFAOYSA-N
MW350.85 g/mol
LogP1.71
Rot. Bonds4

About 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride

2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride (PubChem CID 154907708) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride.

Molecular Properties

Compound Name2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride
PubChem CID154907708
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride
SMILESCCCc1cc(=O)n(-c2ccc(C(=O)N3CCC(N)C3)cc2)[nH]1.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-2-3-14-10-16(22)21(19-14)15-6-4-12(5-7-15)17(23)20-9-8-13(18)11-20;/h4-7,10,13,19H,2-3,8-9,11,18H2,1H3;1H
InChIKeyGXXOKANWJPAHKU-UHFFFAOYSA-N
XLogP1.71
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
CID 62067516
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
[(3R)-3-aminopyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119412519
(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
CID 119380613
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
4-(3-aminopiperidine-1-carbonyl)-N,N-diethylbenzamide;hydrochloride
CID 119380611
5-[(3R)-3-aminopyrrolidine-1-carbonyl]-2-butylisoindole-1,3-dione
CID 119412569

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride?
The IUPAC name of 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride (CID 154907708) is 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride.
What is the SMILES notation for 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride?
The canonical SMILES for 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride is CCCc1cc(=O)n(-c2ccc(C(=O)N3CCC(N)C3)cc2)[nH]1.Cl.
What is the InChIKey of 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride?
The InChIKey is GXXOKANWJPAHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-2-3-14-10-16(22)21(19-14)15-6-4-12(5-7-15)17(23)20-9-8-13(18)11-20;/h4-7,10,13,19H,2-3,8-9,11,18H2,1H3;1H.
What are the key properties of 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride?
2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopyrrolidine-1-carbonyl)phenyl]-5-propyl-1H-pyrazol-3-one;hydrochloride is sourced from PubChem (CID 154907708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).