4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine

C11H21N3S — CID 103010442

IUPAC4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
SMILESCC(C)SCC(N)CCc1ccnn1C
InChIInChI=1S/C11H21N3S/c1-9(2)15-8-10(12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8,12H2,1-3H3
InChIKeyKMKURCBBZGPBIP-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.82
Rot. Bonds6

About 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine

4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine (PubChem CID 103010442) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
PubChem CID103010442
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
SMILESCC(C)SCC(N)CCc1ccnn1C
InChIInChI=1S/C11H21N3S/c1-9(2)15-8-10(12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8,12H2,1-3H3
InChIKeyKMKURCBBZGPBIP-UHFFFAOYSA-N
XLogP1.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
1-butan-2-ylsulfanyl-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008171
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine (CID 103010442) is 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine is CC(C)SCC(N)CCc1ccnn1C.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine?
The InChIKey is KMKURCBBZGPBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(2)15-8-10(12)4-5-11-6-7-13-14(11)3/h6-7,9-10H,4-5,8,12H2,1-3H3.
What are the key properties of 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine?
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine is sourced from PubChem (CID 103010442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).