4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine

C13H14ClN3S — CID 117448979

IUPAC4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(SC3CC3)c(Cl)c2)c1N
InChIInChI=1S/C13H14ClN3S/c1-17-13(15)10(7-16-17)8-2-5-12(11(14)6-8)18-9-3-4-9/h2,5-7,9H,3-4,15H2,1H3
InChIKeyOVFWZBLRPZPUNS-UHFFFAOYSA-N
MW279.80 g/mol
LogP3.58
Rot. Bonds3

About 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine

4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117448979) has the molecular formula C13H14ClN3S and a molecular weight of 279.80 g/mol. Its IUPAC name is 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
PubChem CID117448979
Molecular FormulaC13H14ClN3S
Molecular Weight279.80 g/mol
Exact Mass279.06
IUPAC Name4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2ccc(SC3CC3)c(Cl)c2)c1N
InChIInChI=1S/C13H14ClN3S/c1-17-13(15)10(7-16-17)8-2-5-12(11(14)6-8)18-9-3-4-9/h2,5-7,9H,3-4,15H2,1H3
InChIKeyOVFWZBLRPZPUNS-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-chloro-4-methylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117387554
4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117365796
4-[3-chloro-4-(1-methylpiperidin-4-yl)phenyl]-1-methylpyrazol-5-amine
CID 117490119
4-[4-chloro-3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117445254
4-(3-chloro-4-pyrazol-1-ylphenyl)-1-methylpyrazol-5-amine
CID 117437063
4-(3-bromo-4-cyclopropylphenyl)-1-methylpyrazol-5-amine
CID 117471763
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877
4-(3-cyclohexyl-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117459944
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
CID 117358254
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1-methylpyrazol-5-amine
CID 117435948

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine (CID 117448979) is 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine is Cn1ncc(-c2ccc(SC3CC3)c(Cl)c2)c1N.
What is the InChIKey of 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is OVFWZBLRPZPUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3S/c1-17-13(15)10(7-16-17)8-2-5-12(11(14)6-8)18-9-3-4-9/h2,5-7,9H,3-4,15H2,1H3.
What are the key properties of 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine?
4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 279.80 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117448979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).