N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

C15H19ClN4O2S — CID 120935923

IUPACN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)s1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H19ClN4O2S/c16-13-3-2-12(23-13)11(21)10-18-14(22)15(4-7-17-8-5-15)20-9-1-6-19-20/h1-3,6,9,11,17,21H,4-5,7-8,10H2,(H,18,22)
InChIKeyXGGQOTNEOCPRNG-UHFFFAOYSA-N
MW354.86 g/mol
LogP1.53
Rot. Bonds5

About N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide

N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (PubChem CID 120935923) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
PubChem CID120935923
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC NameN-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
SMILESO=C(NCC(O)c1ccc(Cl)s1)C1(n2cccn2)CCNCC1
InChIInChI=1S/C15H19ClN4O2S/c16-13-3-2-12(23-13)11(21)10-18-14(22)15(4-7-17-8-5-15)20-9-1-6-19-20/h1-3,6,9,11,17,21H,4-5,7-8,10H2,(H,18,22)
InChIKeyXGGQOTNEOCPRNG-UHFFFAOYSA-N
XLogP1.53
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120919192
N-(2,2-diphenylethyl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120919191
N-[2-(2,6-dichlorophenyl)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120930429
N-[2-(dimethylamino)propyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120939947
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120937887
N-[(1-benzylpyrazol-4-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120924950
N-[(3-chloro-4-fluorophenyl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120921977
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120926251
N-(2,2-dimethylpropyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 120922205
N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120934852
N-[2-(2,6-dichlorophenyl)-2-methylpropyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120931395
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120936471

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide (CID 120935923) is N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is O=C(NCC(O)c1ccc(Cl)s1)C1(n2cccn2)CCNCC1.
What is the InChIKey of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
The InChIKey is XGGQOTNEOCPRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c16-13-3-2-12(23-13)11(21)10-18-14(22)15(4-7-17-8-5-15)20-9-1-6-19-20/h1-3,6,9,11,17,21H,4-5,7-8,10H2,(H,18,22).
What are the key properties of N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide?
N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide has a molecular weight of 354.86 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 120935923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).