(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride

C15H18Cl2N4O — CID 119377654

IUPAC(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1
InChIInChI=1S/C15H17ClN4O.ClH/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(21)20-7-1-2-12(17)9-20;/h3-6,8,12H,1-2,7,9,17H2,(H,18,19);1H
InChIKeyYKIANKUYUMHPTF-UHFFFAOYSA-N
MW341.24 g/mol
LogP2.72
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride

(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride (PubChem CID 119377654) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
PubChem CID119377654
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride
SMILESCl.NC1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1
InChIInChI=1S/C15H17ClN4O.ClH/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(21)20-7-1-2-12(17)9-20;/h3-6,8,12H,1-2,7,9,17H2,(H,18,19);1H
InChIKeyYKIANKUYUMHPTF-UHFFFAOYSA-N
XLogP2.72
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]piperidine-3-carboxylic acid
CID 154743582
[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 124611221
[(3R)-3-aminopyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119409300
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538857
(3-amino-5-hydroxypiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
CID 167820660
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(1,4-diazepan-1-yl)methanone
CID 119414620
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 70848800
(3-aminoazepan-1-yl)-[3-(4-chlorophenyl)-4-methyl-1H-pyrazol-5-yl]methanone;hydrochloride
CID 154896930
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 119483328
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-methoxypiperidin-1-yl)methanone
CID 56810856
[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(3-methylpiperidin-1-yl)methanone
CID 46446368
(3-aminopiperidin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone;hydrochloride
CID 119381724

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride (CID 119377654) is (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride is Cl.NC1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride?
The InChIKey is YKIANKUYUMHPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O.ClH/c16-11-5-3-10(4-6-11)13-8-14(19-18-13)15(21)20-7-1-2-12(17)9-20;/h3-6,8,12H,1-2,7,9,17H2,(H,18,19);1H.
What are the key properties of (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride?
(3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride has a molecular weight of 341.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone;hydrochloride is sourced from PubChem (CID 119377654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).