4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

C18H19N5OS — CID 120916709

IUPAC4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H19N5OS/c24-17(18(5-8-19-9-6-18)23-11-2-7-21-23)22-15-4-1-3-14(13-15)16-20-10-12-25-16/h1-4,7,10-13,19H,5-6,8-9H2,(H,22,24)
InChIKeyVMOGQRFVZBFMJC-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.72
Rot. Bonds4

About 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide

4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (PubChem CID 120916709) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
PubChem CID120916709
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nccs2)c1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C18H19N5OS/c24-17(18(5-8-19-9-6-18)23-11-2-7-21-23)22-15-4-1-3-14(13-15)16-20-10-12-25-16/h1-4,7,10-13,19H,5-6,8-9H2,(H,22,24)
InChIKeyVMOGQRFVZBFMJC-UHFFFAOYSA-N
XLogP2.72
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1-methylimidazol-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939586
4-methoxy-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide
CID 119399884
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926643
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 137095489
N-(2-methyl-4-pyridinyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120938072
N-[3-(butanoylamino)phenyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120924327
N-(3,4-dimethylphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120917006
N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119164418
N-(3-propoxyphenyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120923034
methyl 2-[3-[(4-pyrazol-1-ylpiperidine-4-carbonyl)amino]phenoxy]acetate
CID 120922883
4-pyrazol-1-yl-N-[3-(thiomorpholine-4-carbonyl)phenyl]piperidine-4-carboxamide
CID 120929070

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide (CID 120916709) is 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2nccs2)c1)C1(n2cccn2)CCNCC1.
What is the InChIKey of 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is VMOGQRFVZBFMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c24-17(18(5-8-19-9-6-18)23-11-2-7-21-23)22-15-4-1-3-14(13-15)16-20-10-12-25-16/h1-4,7,10-13,19H,5-6,8-9H2,(H,22,24).
What are the key properties of 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide?
4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N-[3-(1,3-thiazol-2-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120916709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).