1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol

C11H15N3OS — CID 111440624

IUPAC1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNCc1ccn[nH]1)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-11(15,10-3-2-6-16-10)8-12-7-9-4-5-13-14-9/h2-6,12,15H,7-8H2,1H3,(H,13,14)
InChIKeyYKCLMSXOAZQMPS-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.47
Rot. Bonds5

About 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol

1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol (PubChem CID 111440624) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol
PubChem CID111440624
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol
SMILESCC(O)(CNCc1ccn[nH]1)c1cccs1
InChIInChI=1S/C11H15N3OS/c1-11(15,10-3-2-6-16-10)8-12-7-9-4-5-13-14-9/h2-6,12,15H,7-8H2,1H3,(H,13,14)
InChIKeyYKCLMSXOAZQMPS-UHFFFAOYSA-N
XLogP1.47
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(dimethylamino)ethylamino]-2-thiophen-2-ylpropan-2-ol
CID 112501508
4-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]benzonitrile
CID 111440639
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
1-[(2-fluoro-5-methylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440507
1-(1H-pyrazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61286025
1-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440614
2-[[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methyl]-5-methoxyphenol
CID 111440552
1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440570
1-[(4-morpholin-4-ylphenyl)methylamino]-2-thiophen-2-ylpropan-2-ol
CID 111440525
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
2-methyl-N-(1H-pyrrol-2-ylmethyl)-2-thiophen-2-ylpropan-1-amine
CID 80526029
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol (CID 111440624) is 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol is CC(O)(CNCc1ccn[nH]1)c1cccs1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is YKCLMSXOAZQMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-11(15,10-3-2-6-16-10)8-12-7-9-4-5-13-14-9/h2-6,12,15H,7-8H2,1H3,(H,13,14).
What are the key properties of 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol?
1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 237.33 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethylamino)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 111440624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).