(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol

C14H18N2OS — CID 15252513

IUPAC(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
SMILESCCCSc1c(CO)c(C)nn1-c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-3-9-18-14-13(10-17)11(2)15-16(14)12-7-5-4-6-8-12/h4-8,17H,3,9-10H2,1-2H3
InChIKeyFLBFMWLZQZYZKH-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.18
Rot. Bonds5

About (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol

(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol (PubChem CID 15252513) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
PubChem CID15252513
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
SMILESCCCSc1c(CO)c(C)nn1-c1ccccc1
InChIInChI=1S/C14H18N2OS/c1-3-9-18-14-13(10-17)11(2)15-16(14)12-7-5-4-6-8-12/h4-8,17H,3,9-10H2,1-2H3
InChIKeyFLBFMWLZQZYZKH-UHFFFAOYSA-N
XLogP3.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
CID 63814567
ethyl 2-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylacetate
CID 63834938
3-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylbutan-2-ol
CID 107772346
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
[5-[ethyl(methyl)amino]-3-methyl-1-phenylpyrazol-4-yl]methanol
CID 43263588
N-[(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)methyl]ethanamine
CID 63813577
2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
[3-methyl-5-[methyl(3-methylbutan-2-yl)amino]-1-phenylpyrazol-4-yl]methanol
CID 43570330
1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine
CID 63835282
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propan-1-ol
CID 170887531
2-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)ethanol
CID 117123475
[3-methyl-5-(3-methylpyrrolidin-1-yl)-1-phenylpyrazol-4-yl]methanol
CID 61226185

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol?
The IUPAC name of (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol (CID 15252513) is (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol.
What is the SMILES notation for (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol?
The canonical SMILES for (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol is CCCSc1c(CO)c(C)nn1-c1ccccc1.
What is the InChIKey of (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol?
The InChIKey is FLBFMWLZQZYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c1-3-9-18-14-13(10-17)11(2)15-16(14)12-7-5-4-6-8-12/h4-8,17H,3,9-10H2,1-2H3.
What are the key properties of (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol?
(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol has a molecular weight of 262.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol is sourced from PubChem (CID 15252513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).