1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine

C11H21N3S — CID 66011003

IUPAC1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)CSc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H21N3S/c1-7(2)6-15-11-9(12)10(8(3)4)13-14(11)5/h7-8H,6,12H2,1-5H3
InChIKeyKCCYVLZJDPKJLL-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.87
Rot. Bonds4

About 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine

1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine (PubChem CID 66011003) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine
PubChem CID66011003
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine
SMILESCC(C)CSc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C11H21N3S/c1-7(2)6-15-11-9(12)10(8(3)4)13-14(11)5/h7-8H,6,12H2,1-5H3
InChIKeyKCCYVLZJDPKJLL-UHFFFAOYSA-N
XLogP2.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine (CID 66011003) is 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine is CC(C)CSc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine?
The InChIKey is KCCYVLZJDPKJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-7(2)6-15-11-9(12)10(8(3)4)13-14(11)5/h7-8H,6,12H2,1-5H3.
What are the key properties of 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine?
1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine has a molecular weight of 227.38 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-methylpropylsulfanyl)-3-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66011003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).