3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol

C15H22N4OS — CID 111449599

IUPAC3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C15H22N4OS/c1-19-10-13(9-17-14(5-7-20)11-21-2)15(18-19)12-4-3-6-16-8-12/h3-4,6,8,10,14,17,20H,5,7,9,11H2,1-2H3
InChIKeyPFXBPQQFXKYNCU-UHFFFAOYSA-N
MW306.44 g/mol
LogP1.69
Rot. Bonds8

About 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol

3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol (PubChem CID 111449599) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
PubChem CID111449599
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
SMILESCSCC(CCO)NCc1cn(C)nc1-c1cccnc1
InChIInChI=1S/C15H22N4OS/c1-19-10-13(9-17-14(5-7-20)11-21-2)15(18-19)12-4-3-6-16-8-12/h3-4,6,8,10,14,17,20H,5,7,9,11H2,1-2H3
InChIKeyPFXBPQQFXKYNCU-UHFFFAOYSA-N
XLogP1.69
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine;hydrochloride
CID 47612776
2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606
3-[(2-chloro-3-pyridinyl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115644851
2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111469301
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 47610180
(6S)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95295052
2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 47619081
3-[(1-methylpyrrol-3-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115867991
1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 47611144
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]propan-2-amine
CID 79484639
2-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]ethanol
CID 17445531

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol (CID 111449599) is 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol is CSCC(CCO)NCc1cn(C)nc1-c1cccnc1.
What is the InChIKey of 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol?
The InChIKey is PFXBPQQFXKYNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-19-10-13(9-17-14(5-7-20)11-21-2)15(18-19)12-4-3-6-16-8-12/h3-4,6,8,10,14,17,20H,5,7,9,11H2,1-2H3.
What are the key properties of 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol?
3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol has a molecular weight of 306.44 g/mol, XLogP of 1.69, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 111449599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).