1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol

C13H23N3OS — CID 114123153

IUPAC1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCSC1CCCC(NCC(O)Cn2cccn2)C1
InChIInChI=1S/C13H23N3OS/c1-18-13-5-2-4-11(8-13)14-9-12(17)10-16-7-3-6-15-16/h3,6-7,11-14,17H,2,4-5,8-10H2,1H3
InChIKeyYQJPGUDMUGVCPO-UHFFFAOYSA-N
MW269.41 g/mol
LogP1.51
Rot. Bonds6

About 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol

1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 114123153) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
PubChem CID114123153
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
SMILESCSC1CCCC(NCC(O)Cn2cccn2)C1
InChIInChI=1S/C13H23N3OS/c1-18-13-5-2-4-11(8-13)14-9-12(17)10-16-7-3-6-15-16/h3,6-7,11-14,17H,2,4-5,8-10H2,1H3
InChIKeyYQJPGUDMUGVCPO-UHFFFAOYSA-N
XLogP1.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-ethylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 64741436
1-[(1-methylpyrrolidin-3-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 61462108
1-(diethylamino)-3-[(3-methylsulfanylcyclohexyl)amino]propan-2-ol
CID 114123069
2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]cycloheptan-1-ol
CID 113394722
N-cyclopropyl-2-[(2-hydroxy-3-pyrazol-1-ylpropyl)amino]acetamide
CID 54938305
1-[(1-methylpyrrolidin-2-yl)methylamino]-3-pyrazol-1-ylpropan-2-ol
CID 114138299
1-(2-methylpropylamino)-3-pyrazol-1-ylpropan-2-ol
CID 60904302
1-[3-[cyclohexyl(methyl)amino]propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60980033
1-[3-(2-methylpiperidin-1-yl)propylamino]-3-pyrazol-1-ylpropan-2-ol
CID 60898299
N-[(3R)-1-[(2S)-2-hydroxy-3-pyrazol-1-ylpropyl]piperidin-3-yl]acetamide
CID 94174599
1-[(4-methylpiperazin-1-yl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 83021560
1-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-3-pyrazol-1-ylpropan-2-ol
CID 62991007

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol (CID 114123153) is 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol is CSC1CCCC(NCC(O)Cn2cccn2)C1.
What is the InChIKey of 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is YQJPGUDMUGVCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-18-13-5-2-4-11(8-13)14-9-12(17)10-16-7-3-6-15-16/h3,6-7,11-14,17H,2,4-5,8-10H2,1H3.
What are the key properties of 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol?
1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 269.41 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylsulfanylcyclohexyl)amino]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 114123153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).