N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H22N4O2S — CID 111429721

IUPACN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H22N4O2S/c21-12-4-8-20(9-5-12)7-2-6-17-16(22)14-11-13(18-19-14)15-3-1-10-23-15/h1,3,10-12,21H,2,4-9H2,(H,17,22)(H,18,19)
InChIKeyXADCOBOILFMMST-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.71
Rot. Bonds6

About N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 111429721) has the molecular formula C16H22N4O2S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID111429721
Molecular FormulaC16H22N4O2S
Molecular Weight334.44 g/mol
Exact Mass334.15
IUPAC NameN-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(NCCCN1CCC(O)CC1)c1cc(-c2cccs2)[nH]n1
InChIInChI=1S/C16H22N4O2S/c21-12-4-8-20(9-5-12)7-2-6-17-16(22)14-11-13(18-19-14)15-3-1-10-23-15/h1,3,10-12,21H,2,4-9H2,(H,17,22)(H,18,19)
InChIKeyXADCOBOILFMMST-UHFFFAOYSA-N
XLogP1.71
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]piperazine-1-carboxylate
CID 55867182
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933
N-[3-[(5-bromofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990257
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990285
4-methyl-2-oxo-N-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propyl]-1H-pyridine-3-carboxamide
CID 131990240
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55949675
N-[3-(4-hydroxypiperidin-1-yl)propyl]-3-methylsulfanylthiophene-2-carboxamide
CID 111429524
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 121119294
N-(2-methyl-3-piperidin-1-ylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55982510
methyl 6-[3-[(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate
CID 131990251
N-(4-aminocyclohexyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119474401

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 111429721) is N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(NCCCN1CCC(O)CC1)c1cc(-c2cccs2)[nH]n1.
What is the InChIKey of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XADCOBOILFMMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-12-4-8-20(9-5-12)7-2-6-17-16(22)14-11-13(18-19-14)15-3-1-10-23-15/h1,3,10-12,21H,2,4-9H2,(H,17,22)(H,18,19).
What are the key properties of N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 1.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxypiperidin-1-yl)propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 111429721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).