2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol

C15H27N3OS — CID 106810814

IUPAC2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCSc1cc(C)nn1C)NC1CC1
InChIInChI=1S/C15H27N3OS/c1-4-15(11-19,16-13-6-7-13)8-5-9-20-14-10-12(2)17-18(14)3/h10,13,16,19H,4-9,11H2,1-3H3
InChIKeyUEEPSGDUCJIEKC-UHFFFAOYSA-N
MW297.47 g/mol
LogP2.49
Rot. Bonds9

About 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol

2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol (PubChem CID 106810814) has the molecular formula C15H27N3OS and a molecular weight of 297.47 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol
PubChem CID106810814
Molecular FormulaC15H27N3OS
Molecular Weight297.47 g/mol
Exact Mass297.19
IUPAC Name2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol
SMILESCCC(CO)(CCCSc1cc(C)nn1C)NC1CC1
InChIInChI=1S/C15H27N3OS/c1-4-15(11-19,16-13-6-7-13)8-5-9-20-14-10-12(2)17-18(14)3/h10,13,16,19H,4-9,11H2,1-3H3
InChIKeyUEEPSGDUCJIEKC-UHFFFAOYSA-N
XLogP2.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethyl-2-(methylamino)pentan-1-ol
CID 106810815
2-(cyclopropylamino)-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoic acid
CID 62403424
2-(cyclopropylamino)-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-ethylpentan-1-ol
CID 106810072
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64806113
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(ethylamino)propan-1-ol
CID 64807982
5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(methylamino)pentanoic acid
CID 55071207
2-cyclopropyl-3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propan-2-ylamino)propan-1-ol
CID 64806530
2-cyclopropyl-2-(cyclopropylamino)-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropanenitrile
CID 63907221
2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoic acid
CID 62403777
methyl 4-(2,5-dimethylpyrazol-3-yl)sulfanylbutanoate
CID 62408578
ethyl 2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoate
CID 62403592
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-ethyl-2-(propylamino)pentan-1-ol
CID 106810779

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol (CID 106810814) is 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol is CCC(CO)(CCCSc1cc(C)nn1C)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol?
The InChIKey is UEEPSGDUCJIEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3OS/c1-4-15(11-19,16-13-6-7-13)8-5-9-20-14-10-12(2)17-18(14)3/h10,13,16,19H,4-9,11H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol?
2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol has a molecular weight of 297.47 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethylpentan-1-ol is sourced from PubChem (CID 106810814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).