3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol

C11H21N3OS — CID 66137324

IUPAC3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol
SMILESCNCc1c(C)nn(C)c1SC(C)CCO
InChIInChI=1S/C11H21N3OS/c1-8(5-6-15)16-11-10(7-12-3)9(2)13-14(11)4/h8,12,15H,5-7H2,1-4H3
InChIKeyKVUMLWSODIEGQP-UHFFFAOYSA-N
MW243.38 g/mol
LogP1.31
Rot. Bonds6

About 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol

3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol (PubChem CID 66137324) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol
PubChem CID66137324
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol
SMILESCNCc1c(C)nn(C)c1SC(C)CCO
InChIInChI=1S/C11H21N3OS/c1-8(5-6-15)16-11-10(7-12-3)9(2)13-14(11)4/h8,12,15H,5-7H2,1-4H3
InChIKeyKVUMLWSODIEGQP-UHFFFAOYSA-N
XLogP1.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
CID 66137328
3-[4-[(2-methoxyethylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylbutan-1-ol
CID 66137994
2-[1,3-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-5-yl]sulfanylpropan-1-ol
CID 113374003
5-(4-hydroxybutan-2-ylsulfanyl)-1,3-dimethylpyrazole-4-carbaldehyde
CID 66137546
1-(5-butylsulfanyl-1,3-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 63809428
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670
1-(1,3-dimethyl-5-pentylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 107761377
1-[5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1,3-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 63808969
3-(1-methyl-4-nitro-3-propan-2-ylpyrazol-5-yl)sulfanylbutan-1-ol
CID 66137662
1-[1,3-dimethyl-5-(1,3-oxazol-2-ylsulfanyl)pyrazol-4-yl]-N-methylmethanamine
CID 106926425
1,3-dimethyl-4-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyrazol-5-amine
CID 107870543
3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 66092719

Frequently Asked Questions

What is the IUPAC name of 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol?
The IUPAC name of 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol (CID 66137324) is 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol.
What is the SMILES notation for 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol?
The canonical SMILES for 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol is CNCc1c(C)nn(C)c1SC(C)CCO.
What is the InChIKey of 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol?
The InChIKey is KVUMLWSODIEGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-8(5-6-15)16-11-10(7-12-3)9(2)13-14(11)4/h8,12,15H,5-7H2,1-4H3.
What are the key properties of 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol?
3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol has a molecular weight of 243.38 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,3-dimethyl-4-(methylaminomethyl)pyrazol-5-yl]sulfanylbutan-1-ol is sourced from PubChem (CID 66137324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).