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

C19H22ClN5OS — CID 120919934

IUPACN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc2)cs1.Cl
InChIInChI=1S/C19H21N5OS.ClH/c1-14-22-17(13-26-14)15-3-5-16(6-4-15)23-18(25)19(7-10-20-11-8-19)24-12-2-9-21-24;/h2-6,9,12-13,20H,7-8,10-11H2,1H3,(H,23,25);1H
InChIKeyVZOVXLGFEPYNNK-UHFFFAOYSA-N
MW403.94 g/mol
LogP3.45
Rot. Bonds4

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

N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120919934) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
PubChem CID120919934
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC NameN-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc2)cs1.Cl
InChIInChI=1S/C19H21N5OS.ClH/c1-14-22-17(13-26-14)15-3-5-16(6-4-15)23-18(25)19(7-10-20-11-8-19)24-12-2-9-21-24;/h2-6,9,12-13,20H,7-8,10-11H2,1H3,(H,23,25);1H
InChIKeyVZOVXLGFEPYNNK-UHFFFAOYSA-N
XLogP3.45
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.94
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917507
N-(4-iodophenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917303
4-methoxy-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-4-carboxamide
CID 119694020
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[4-(3-chlorophenyl)-1,3-thiazol-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120922512
N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931761
N-(2-methylpyrimidin-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930988
N-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120934450
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943997
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-(2-methyl-1H-indol-5-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921641
N-[4-(propylsulfamoyl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923921

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120919934) is N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is Cc1nc(-c2ccc(NC(=O)C3(n4cccn4)CCNCC3)cc2)cs1.Cl.
What is the InChIKey of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is VZOVXLGFEPYNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS.ClH/c1-14-22-17(13-26-14)15-3-5-16(6-4-15)23-18(25)19(7-10-20-11-8-19)24-12-2-9-21-24;/h2-6,9,12-13,20H,7-8,10-11H2,1H3,(H,23,25);1H.
What are the key properties of N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 403.94 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120919934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).