(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride

C15H19ClN4O2 — CID 119482974

IUPAC(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(N)C3)n2)cc1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-21-13-4-2-12(3-5-13)19-9-7-14(17-19)15(20)18-8-6-11(16)10-18;/h2-5,7,9,11H,6,8,10,16H2,1H3;1H
InChIKeyXGNAYRHYZFINAL-UHFFFAOYSA-N
MW322.80 g/mol
LogP1.48
Rot. Bonds3

About (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride

(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride (PubChem CID 119482974) has the molecular formula C15H19ClN4O2 and a molecular weight of 322.80 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
PubChem CID119482974
Molecular FormulaC15H19ClN4O2
Molecular Weight322.80 g/mol
Exact Mass322.12
IUPAC Name(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-n2ccc(C(=O)N3CCC(N)C3)n2)cc1.Cl
InChIInChI=1S/C15H18N4O2.ClH/c1-21-13-4-2-12(3-5-13)19-9-7-14(17-19)15(20)18-8-6-11(16)10-18;/h2-5,7,9,11H,6,8,10,16H2,1H3;1H
InChIKeyXGNAYRHYZFINAL-UHFFFAOYSA-N
XLogP1.48
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methoxyphenyl)pyrazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119545939
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119519940
(4-amino-2-methylpiperidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 122149214
[4-(1-hydroxyethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 111429739
(3-amino-7-azaspiro[3.5]nonan-7-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 154872028
(2,4-dimethylpiperazin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 71877262
[1-(4-methoxyphenyl)pyrazol-3-yl]-[(3R)-3-(2-morpholin-4-ylethoxy)pyrrolidin-1-yl]methanone
CID 97000310
[4-(aminomethyl)-4-hydroxypiperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone
CID 166239498
[2-(1-aminoethyl)piperidin-1-yl]-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride
CID 119436927
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-nitrophenyl)pyrazol-3-yl]methanone
CID 119411732
[(3S)-3-aminopyrrolidin-1-yl]-[1-(2-fluorophenyl)pyrazol-3-yl]methanone
CID 124574217
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 62371842

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride (CID 119482974) is (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride is COc1ccc(-n2ccc(C(=O)N3CCC(N)C3)n2)cc1.Cl.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
The InChIKey is XGNAYRHYZFINAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2.ClH/c1-21-13-4-2-12(3-5-13)19-9-7-14(17-19)15(20)18-8-6-11(16)10-18;/h2-5,7,9,11H,6,8,10,16H2,1H3;1H.
What are the key properties of (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride?
(3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-[1-(4-methoxyphenyl)pyrazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119482974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).