1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine

C10H19N3S — CID 66010808

IUPAC1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine
SMILESCCCSc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C10H19N3S/c1-5-6-14-10-8(11)9(7(2)3)12-13(10)4/h7H,5-6,11H2,1-4H3
InChIKeyGFJDRHHZWSNDNF-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.63
Rot. Bonds4

About 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine

1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine (PubChem CID 66010808) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine
PubChem CID66010808
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine
SMILESCCCSc1c(N)c(C(C)C)nn1C
InChIInChI=1S/C10H19N3S/c1-5-6-14-10-8(11)9(7(2)3)12-13(10)4/h7H,5-6,11H2,1-4H3
InChIKeyGFJDRHHZWSNDNF-UHFFFAOYSA-N
XLogP2.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine?
The IUPAC name of 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine (CID 66010808) is 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine?
The canonical SMILES for 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine is CCCSc1c(N)c(C(C)C)nn1C.
What is the InChIKey of 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine?
The InChIKey is GFJDRHHZWSNDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-5-6-14-10-8(11)9(7(2)3)12-13(10)4/h7H,5-6,11H2,1-4H3.
What are the key properties of 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine?
1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine has a molecular weight of 213.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-5-propylsulfanylpyrazol-4-amine is sourced from PubChem (CID 66010808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).