2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol

C18H20N4OS — CID 91767079

IUPAC2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1
InChIInChI=1S/C18H20N4OS/c23-17-4-2-1-3-16(17)22-11-9-21(10-12-22)13-14-5-6-18(24-14)15-7-8-19-20-15/h1-8,23H,9-13H2,(H,19,20)
InChIKeyAGZLDBZEBXADBV-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.17
Rot. Bonds4

About 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol

2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol (PubChem CID 91767079) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol
PubChem CID91767079
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1
InChIInChI=1S/C18H20N4OS/c23-17-4-2-1-3-16(17)22-11-9-21(10-12-22)13-14-5-6-18(24-14)15-7-8-19-20-15/h1-8,23H,9-13H2,(H,19,20)
InChIKeyAGZLDBZEBXADBV-UHFFFAOYSA-N
XLogP3.17
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-ol
CID 56755407
1'-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56887580
1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-4-(thian-4-yl)piperazine
CID 77086729
(3S)-3-(2-methylphenyl)-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]pyrrolidin-3-ol
CID 99934007
4-[1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]azetidin-3-yl]pyridine
CID 131940360
(3S)-2-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 99954376
12-phenyl-4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-1,4,8-triazacyclotetradecane-2,9-dione
CID 155916761
N-[(4R,5S)-5-hydroxy-4-methyl-9-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]acetamide
CID 137336138
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(1H-pyrazol-5-yl)thiophen-2-yl]methanone
CID 136536307
N-[(3R,4R)-3-hydroxy-1-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 70733332
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]phenol
CID 8529069
1-(4-fluorophenyl)-4-[(5-phenylthiophen-2-yl)methyl]piperazine
CID 22762532

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol?
The IUPAC name of 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol (CID 91767079) is 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol is Oc1ccccc1N1CCN(Cc2ccc(-c3ccn[nH]3)s2)CC1.
What is the InChIKey of 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol?
The InChIKey is AGZLDBZEBXADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-17-4-2-1-3-16(17)22-11-9-21(10-12-22)13-14-5-6-18(24-14)15-7-8-19-20-15/h1-8,23H,9-13H2,(H,19,20).
What are the key properties of 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol?
2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol has a molecular weight of 340.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(1H-pyrazol-5-yl)thiophen-2-yl]methyl]piperazin-1-yl]phenol is sourced from PubChem (CID 91767079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).