3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol

C16H23N3OS — CID 64819677

IUPAC3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CSc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C16H23N3OS/c1-3-9-17-16(12-20,14-7-5-4-6-8-14)13-21-15-10-18-19(2)11-15/h4-8,10-11,17,20H,3,9,12-13H2,1-2H3
InChIKeyFJYYCTDNUXDWAW-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.40
Rot. Bonds8

About 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol

3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol (PubChem CID 64819677) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol
PubChem CID64819677
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CSc1cnn(C)c1)c1ccccc1
InChIInChI=1S/C16H23N3OS/c1-3-9-17-16(12-20,14-7-5-4-6-8-14)13-21-15-10-18-19(2)11-15/h4-8,10-11,17,20H,3,9,12-13H2,1-2H3
InChIKeyFJYYCTDNUXDWAW-UHFFFAOYSA-N
XLogP2.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-2-(propylamino)propan-1-ol
CID 64805973
3-methylsulfanyl-2-phenyl-2-(propylamino)propan-1-ol
CID 64806019
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentan-1-ol
CID 64818569
3-(4-chloropyrazol-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
CID 64809031
2-(1-methylpyrazol-4-yl)sulfanyl-1-phenyl-N-propylbutan-1-amine
CID 64626985
3-phenyl-3-(propylamino)hexan-1-ol
CID 65234672
2-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-2-(propylamino)pentanamide
CID 64702917
N-[3-(1-methylpyrazol-4-yl)sulfanylpropyl]aniline
CID 62582126
3-(2,2-dimethylpyrrolidin-1-yl)-2-phenyl-2-(propylamino)propan-1-ol
CID 64791689
4-(2-methylpropylsulfanyl)-2-phenyl-2-(propylamino)butan-1-ol
CID 116696144
N-ethyl-2-(1-methylpyrazol-4-yl)sulfanyl-1-phenylbutan-1-amine
CID 64627603
1-(1-methylpyrazol-4-yl)sulfanyl-3-(propylamino)propan-2-ol
CID 61385188

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
The IUPAC name of 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol (CID 64819677) is 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol is CCCNC(CO)(CSc1cnn(C)c1)c1ccccc1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
The InChIKey is FJYYCTDNUXDWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-9-17-16(12-20,14-7-5-4-6-8-14)13-21-15-10-18-19(2)11-15/h4-8,10-11,17,20H,3,9,12-13H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol?
3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol has a molecular weight of 305.45 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)sulfanyl-2-phenyl-2-(propylamino)propan-1-ol is sourced from PubChem (CID 64819677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).