N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride

C22H32ClN5O2 — CID 119479456

IUPACN-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-n2ncc(C(=O)N3CCCC(C(=O)NCCN)C3)c2C(C)C)cc1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-15(2)20-19(13-25-27(20)18-8-6-16(3)7-9-18)22(29)26-12-4-5-17(14-26)21(28)24-11-10-23;/h6-9,13,15,17H,4-5,10-12,14,23H2,1-3H3,(H,24,28);1H
InChIKeyJJADELFCKQTAPZ-UHFFFAOYSA-N
MW433.98 g/mol
LogP2.65
Rot. Bonds6

About N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119479456) has the molecular formula C22H32ClN5O2 and a molecular weight of 433.98 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119479456
Molecular FormulaC22H32ClN5O2
Molecular Weight433.98 g/mol
Exact Mass433.22
IUPAC NameN-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-n2ncc(C(=O)N3CCCC(C(=O)NCCN)C3)c2C(C)C)cc1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-15(2)20-19(13-25-27(20)18-8-6-16(3)7-9-18)22(29)26-12-4-5-17(14-26)21(28)24-11-10-23;/h6-9,13,15,17H,4-5,10-12,14,23H2,1-3H3,(H,24,28);1H
InChIKeyJJADELFCKQTAPZ-UHFFFAOYSA-N
XLogP2.65
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480273
N-(2-aminoethyl)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxamide
CID 119480898
(3-ethoxypiperidin-1-yl)-[1-(4-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 47736836
(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99638797
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-(2-aminoethyl)-1-(2-methyl-1H-pyrrole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119482030
N-(2-aminoethyl)-1-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119481306
N-(2-aminoethyl)-1-(5-methyl-2-nitrobenzoyl)piperidine-3-carboxamide
CID 119480572
N-(2-aminoethyl)-1-[2-chloro-5-(2-methylpropanoylamino)benzoyl]piperidine-3-carboxamide;hydrochloride
CID 119482456
N-(2-aminoethyl)-1-[4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482434
N-(2-aminoethyl)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479473
4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]morpholine-2-carboxylic acid
CID 119239693

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride (CID 119479456) is N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(-n2ncc(C(=O)N3CCCC(C(=O)NCCN)C3)c2C(C)C)cc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is JJADELFCKQTAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.ClH/c1-15(2)20-19(13-25-27(20)18-8-6-16(3)7-9-18)22(29)26-12-4-5-17(14-26)21(28)24-11-10-23;/h6-9,13,15,17H,4-5,10-12,14,23H2,1-3H3,(H,24,28);1H.
What are the key properties of N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride?
N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119479456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).