N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C18H21ClN6O2 — CID 120926643

IUPACN-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nc(-c2cccc(NC(=O)C3(n4cccn4)CCNCC3)c2)no1.Cl
InChIInChI=1S/C18H20N6O2.ClH/c1-13-21-16(23-26-13)14-4-2-5-15(12-14)22-17(25)18(6-9-19-10-7-18)24-11-3-8-20-24;/h2-5,8,11-12,19H,6-7,9-10H2,1H3,(H,22,25);1H
InChIKeyQLBRSNIKWVQBMC-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.38
Rot. Bonds4

About N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120926643) has the molecular formula C18H21ClN6O2 and a molecular weight of 388.86 g/mol. Its IUPAC name is N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120926643
Molecular FormulaC18H21ClN6O2
Molecular Weight388.86 g/mol
Exact Mass388.14
IUPAC NameN-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nc(-c2cccc(NC(=O)C3(n4cccn4)CCNCC3)c2)no1.Cl
InChIInChI=1S/C18H20N6O2.ClH/c1-13-21-16(23-26-13)14-4-2-5-15(12-14)22-17(25)18(6-9-19-10-7-18)24-11-3-8-20-24;/h2-5,8,11-12,19H,6-7,9-10H2,1H3,(H,22,25);1H
InChIKeyQLBRSNIKWVQBMC-UHFFFAOYSA-N
XLogP2.38
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120916709
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 137095489
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-[3-(diethylcarbamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120918876
ethyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenyl]acetate;hydrochloride
CID 120934173
N-[4-methyl-3-(trifluoromethyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120920388
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120926643) is N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1nc(-c2cccc(NC(=O)C3(n4cccn4)CCNCC3)c2)no1.Cl.
What is the InChIKey of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is QLBRSNIKWVQBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2.ClH/c1-13-21-16(23-26-13)14-4-2-5-15(12-14)22-17(25)18(6-9-19-10-7-18)24-11-3-8-20-24;/h2-5,8,11-12,19H,6-7,9-10H2,1H3,(H,22,25);1H.
What are the key properties of N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 388.86 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120926643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).