(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride

C22H25ClN4O2 — CID 119378655

IUPAC(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(N)C3)nn2-c2ccccc2)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-28-19-11-9-16(10-12-19)21-14-20(22(27)25-13-5-6-17(23)15-25)24-26(21)18-7-3-2-4-8-18;/h2-4,7-12,14,17H,5-6,13,15,23H2,1H3;1H
InChIKeyRLAQCCHCRUGLJT-UHFFFAOYSA-N
MW412.92 g/mol
LogP3.53
Rot. Bonds4

About (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride (PubChem CID 119378655) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
PubChem CID119378655
Molecular FormulaC22H25ClN4O2
Molecular Weight412.92 g/mol
Exact Mass412.17
IUPAC Name(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(N)C3)nn2-c2ccccc2)cc1.Cl
InChIInChI=1S/C22H24N4O2.ClH/c1-28-19-11-9-16(10-12-19)21-14-20(22(27)25-13-5-6-17(23)15-25)24-26(21)18-7-3-2-4-8-18;/h2-4,7-12,14,17H,5-6,13,15,23H2,1H3;1H
InChIKeyRLAQCCHCRUGLJT-UHFFFAOYSA-N
XLogP3.53
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
3-(3-aminopiperidine-1-carbonyl)-1-phenylpyrazole-5-carboxamide;hydrochloride
CID 119379377
(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166230935
[5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 21090864
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
1-azaspiro[3.3]heptan-1-yl-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166221939
[(3S)-3-methoxypiperidin-1-yl]-(1-phenyl-5-pyridin-3-ylpyrazol-3-yl)methanone
CID 154848010
(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166188464
(3-aminopiperidin-1-yl)-[1-benzyl-3-(4-methoxyphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 119377328
4-[3-(3-aminopiperidine-1-carbonyl)-1-quinolin-6-ylpyrazol-5-yl]benzonitrile
CID 175014991
[(2R)-2-(2-chlorophenyl)pyrrolidin-1-yl]-[1-(4-methoxyphenyl)-5-phenylpyrazol-3-yl]methanone
CID 118111663
1-[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]piperidine-3-carboxylic acid
CID 120512556

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride (CID 119378655) is (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride is COc1ccc(-c2cc(C(=O)N3CCCC(N)C3)nn2-c2ccccc2)cc1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride?
The InChIKey is RLAQCCHCRUGLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.ClH/c1-28-19-11-9-16(10-12-19)21-14-20(22(27)25-13-5-6-17(23)15-25)24-26(21)18-7-3-2-4-8-18;/h2-4,7-12,14,17H,5-6,13,15,23H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119378655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).