(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine

C12H15N3S — CID 115858788

IUPAC(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccnn2C)cc1
InChIInChI=1S/C12H15N3S/c1-15-11(7-8-14-15)12(13)9-3-5-10(16-2)6-4-9/h3-8,12H,13H2,1-2H3
InChIKeyUHOAQINLFMUHIW-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.19
Rot. Bonds3

About (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine

(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 115858788) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
PubChem CID115858788
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccnn2C)cc1
InChIInChI=1S/C12H15N3S/c1-15-11(7-8-14-15)12(13)9-3-5-10(16-2)6-4-9/h3-8,12H,13H2,1-2H3
InChIKeyUHOAQINLFMUHIW-UHFFFAOYSA-N
XLogP2.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963313
(2,6-dimethyl-4-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 107503143
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
(2-methylpyrazol-3-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105148719
(2-methylpyrazol-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 105155652
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037
(2,6-dimethyl-3-pyridinyl)-(2-methylpyrazol-3-yl)methanamine
CID 105148616
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
[3-(2-methylpropyl)phenyl]-(2-methylpyrazol-3-yl)methanamine
CID 105188165
(4-methylsulfanylphenyl)-pyrazin-2-ylmethanamine
CID 115860586
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine (CID 115858788) is (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2ccnn2C)cc1.
What is the InChIKey of (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is UHOAQINLFMUHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-15-11(7-8-14-15)12(13)9-3-5-10(16-2)6-4-9/h3-8,12H,13H2,1-2H3.
What are the key properties of (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine?
(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 233.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 115858788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).