5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine

C13H15N3S — CID 117365790

IUPAC5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(SCC3CC3)cc2)[nH]n1
InChIInChI=1S/C13H15N3S/c14-13-7-12(15-16-13)10-3-5-11(6-4-10)17-8-9-1-2-9/h3-7,9H,1-2,8H2,(H3,14,15,16)
InChIKeyCSKKNVXETWYJJW-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.16
Rot. Bonds4

About 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine

5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117365790) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117365790
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc(SCC3CC3)cc2)[nH]n1
InChIInChI=1S/C13H15N3S/c14-13-7-12(15-16-13)10-3-5-11(6-4-10)17-8-9-1-2-9/h3-7,9H,1-2,8H2,(H3,14,15,16)
InChIKeyCSKKNVXETWYJJW-UHFFFAOYSA-N
XLogP3.16
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-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

5-(4-benzylphenyl)-1H-pyrazol-3-amine
CID 3651142
5-[4-(2-fluoroethyl)phenyl]-1H-pyrazol-3-amine
CID 117293401
5-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1H-pyrazol-3-amine
CID 117494004
cyclopropylmethylsulfanylbenzene
CID 579222
5-(4-hydroperoxyphenyl)-1H-pyrazol-3-amine
CID 163569629
5-[4-(2-methoxy-2-methylpropyl)phenyl]-1H-pyrazol-3-amine
CID 115111529
1-[4-(3-amino-1H-pyrazol-5-yl)phenyl]-4-methylpiperazin-2-one
CID 117431151
5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117306835
5-[4-(2-methoxyethyl)phenyl]-1H-pyrazol-3-amine
CID 117309554
2-[4-(cyclopropylmethylsulfanyl)phenyl]propan-1-amine
CID 117317153
4-(cyclohexylmethylsulfanyl)benzene-1,2-diamine
CID 20532843
5-[4-(2-piperidin-1-ylethyl)phenyl]-1H-pyrazol-3-amine
CID 117429379

Frequently Asked Questions

What is the IUPAC name of 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine (CID 117365790) is 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine is Nc1cc(-c2ccc(SCC3CC3)cc2)[nH]n1.
What is the InChIKey of 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is CSKKNVXETWYJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c14-13-7-12(15-16-13)10-3-5-11(6-4-10)17-8-9-1-2-9/h3-7,9H,1-2,8H2,(H3,14,15,16).
What are the key properties of 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine?
5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 245.35 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(cyclopropylmethylsulfanyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117365790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).