2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine

C15H21N3OS — CID 71916696

IUPAC2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine
SMILESCC(C)Cn1nccc1NCc1ccc(S(C)=O)cc1
InChIInChI=1S/C15H21N3OS/c1-12(2)11-18-15(8-9-17-18)16-10-13-4-6-14(7-5-13)20(3)19/h4-9,12,16H,10-11H2,1-3H3
InChIKeyPWAUVUQZVRDINE-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.89
Rot. Bonds6

About 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine

2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine (PubChem CID 71916696) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine
PubChem CID71916696
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine
SMILESCC(C)Cn1nccc1NCc1ccc(S(C)=O)cc1
InChIInChI=1S/C15H21N3OS/c1-12(2)11-18-15(8-9-17-18)16-10-13-4-6-14(7-5-13)20(3)19/h4-9,12,16H,10-11H2,1-3H3
InChIKeyPWAUVUQZVRDINE-UHFFFAOYSA-N
XLogP2.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine (CID 71916696) is 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine is CC(C)Cn1nccc1NCc1ccc(S(C)=O)cc1.
What is the InChIKey of 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine?
The InChIKey is PWAUVUQZVRDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-12(2)11-18-15(8-9-17-18)16-10-13-4-6-14(7-5-13)20(3)19/h4-9,12,16H,10-11H2,1-3H3.
What are the key properties of 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine?
2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine has a molecular weight of 291.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-[(4-methylsulfinylphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 71916696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).