2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol

C13H25N3OS — CID 64818569

IUPAC2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1cnn(C)c1
InChIInChI=1S/C13H25N3OS/c1-5-6-14-13(3,10-17)7-11(2)18-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyCHRYBNRWIMICQK-UHFFFAOYSA-N
MW271.43 g/mol
LogP2.04
Rot. Bonds8

About 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol

2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol (PubChem CID 64818569) has the molecular formula C13H25N3OS and a molecular weight of 271.43 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol.

Molecular Properties

Compound Name2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
PubChem CID64818569
Molecular FormulaC13H25N3OS
Molecular Weight271.43 g/mol
Exact Mass271.17
IUPAC Name2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
SMILESCCCNC(C)(CO)CC(C)Sc1cnn(C)c1
InChIInChI=1S/C13H25N3OS/c1-5-6-14-13(3,10-17)7-11(2)18-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3
InChIKeyCHRYBNRWIMICQK-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.43
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
ethyl 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanoate
CID 64703505
4-(4-bromophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64820388
2-methyl-2-(methylamino)-4-(1-methylpyrazol-4-yl)sulfanylpentanoic acid
CID 64705302
2-methyl-2-(propylamino)-4-(1,3,4-thiadiazol-2-ylsulfanyl)pentan-1-ol
CID 64806828
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64819677
N-[2-(1-methylpyrazol-4-yl)sulfanylpropyl]butan-1-amine
CID 62582315
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propylamino)pentan-1-ol
CID 64809659
methyl 2-(cyclopropylamino)-2-methyl-4-(1-methylpyrazol-4-yl)sulfanylpentanoate
CID 64705687
methyl 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propan-2-ylamino)pentanoate
CID 64703307
4-(2,5-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentan-1-ol
CID 64807866
4-[(3-chloro-2-pyridinyl)sulfanyl]-2-methyl-2-(propylamino)pentan-1-ol
CID 64821326

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The IUPAC name of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol (CID 64818569) is 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol.
What is the SMILES notation for 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The canonical SMILES for 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol is CCCNC(C)(CO)CC(C)Sc1cnn(C)c1.
What is the InChIKey of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol?
The InChIKey is CHRYBNRWIMICQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3OS/c1-5-6-14-13(3,10-17)7-11(2)18-12-8-15-16(4)9-12/h8-9,11,14,17H,5-7,10H2,1-4H3.
What are the key properties of 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol?
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol has a molecular weight of 271.43 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol is sourced from PubChem (CID 64818569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).