1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol

C14H26N2OS — CID 65134516

IUPAC1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CSC(C)C)n1
InChIInChI=1S/C14H26N2OS/c1-5-13(6-2)16-8-7-12(15-16)9-14(17)10-18-11(3)4/h7-8,11,13-14,17H,5-6,9-10H2,1-4H3
InChIKeyWAFAOBFZWJKQCA-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.29
Rot. Bonds8

About 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol

1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol (PubChem CID 65134516) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
PubChem CID65134516
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol
SMILESCCC(CC)n1ccc(CC(O)CSC(C)C)n1
InChIInChI=1S/C14H26N2OS/c1-5-13(6-2)16-8-7-12(15-16)9-14(17)10-18-11(3)4/h7-8,11,13-14,17H,5-6,9-10H2,1-4H3
InChIKeyWAFAOBFZWJKQCA-UHFFFAOYSA-N
XLogP3.29
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785470
1-tert-butylsulfanyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 65133710
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(1-butan-2-ylpyrazol-3-yl)-3-methylsulfanylpropan-2-ol
CID 64785469
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82869244
1-(1-butan-2-ylpyrazol-3-yl)-3-ethylsulfanylpropan-2-ol
CID 65131163
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(1-pentan-3-ylpyrazol-3-yl)-3-pyridin-2-ylpropan-2-ol
CID 64784536
1-(1-pentan-3-ylpyrazol-3-yl)-3-phenoxypropan-2-ol
CID 64785290
1-(2-bromophenyl)-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785116
4-(1-pentan-3-ylpyrazol-3-yl)butan-2-ol
CID 64777271

Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol?
The IUPAC name of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol (CID 65134516) is 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol?
The canonical SMILES for 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol is CCC(CC)n1ccc(CC(O)CSC(C)C)n1.
What is the InChIKey of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol?
The InChIKey is WAFAOBFZWJKQCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-13(6-2)16-8-7-12(15-16)9-14(17)10-18-11(3)4/h7-8,11,13-14,17H,5-6,9-10H2,1-4H3.
What are the key properties of 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol?
1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol has a molecular weight of 270.44 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-3-ylpyrazol-3-yl)-3-propan-2-ylsulfanylpropan-2-ol is sourced from PubChem (CID 65134516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).