4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine

C13H15N3S — CID 117365796

IUPAC4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(SC3CC3)cc2)c1N
InChIInChI=1S/C13H15N3S/c1-16-13(14)12(8-15-16)9-2-4-10(5-3-9)17-11-6-7-11/h2-5,8,11H,6-7,14H2,1H3
InChIKeyLVJYEGSQKHUNML-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.92
Rot. Bonds3

About 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine

4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117365796) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
PubChem CID117365796
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(SC3CC3)cc2)c1N
InChIInChI=1S/C13H15N3S/c1-16-13(14)12(8-15-16)9-2-4-10(5-3-9)17-11-6-7-11/h2-5,8,11H,6-7,14H2,1H3
InChIKeyLVJYEGSQKHUNML-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117448979
1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
CID 117358254
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
CID 117401972
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine
CID 117390611
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117370752
4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117435948
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117445254

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine (CID 117365796) is 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(SC3CC3)cc2)c1N.
What is the InChIKey of 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is LVJYEGSQKHUNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16-13(14)12(8-15-16)9-2-4-10(5-3-9)17-11-6-7-11/h2-5,8,11H,6-7,14H2,1H3.
What are the key properties of 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117365796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).