1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine

C14H19N3S — CID 62138465

IUPAC1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine
SMILESCC(C)c1ccc(SCCn2cc(N)cn2)cc1
InChIInChI=1S/C14H19N3S/c1-11(2)12-3-5-14(6-4-12)18-8-7-17-10-13(15)9-16-17/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyIXAPANMVPWCOSR-UHFFFAOYSA-N
MW261.39 g/mol
LogP3.38
Rot. Bonds5

About 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine

1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine (PubChem CID 62138465) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine
PubChem CID62138465
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine
SMILESCC(C)c1ccc(SCCn2cc(N)cn2)cc1
InChIInChI=1S/C14H19N3S/c1-11(2)12-3-5-14(6-4-12)18-8-7-17-10-13(15)9-16-17/h3-6,9-11H,7-8,15H2,1-2H3
InChIKeyIXAPANMVPWCOSR-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine (CID 62138465) is 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine is CC(C)c1ccc(SCCn2cc(N)cn2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine?
The InChIKey is IXAPANMVPWCOSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-11(2)12-3-5-14(6-4-12)18-8-7-17-10-13(15)9-16-17/h3-6,9-11H,7-8,15H2,1-2H3.
What are the key properties of 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine?
1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine has a molecular weight of 261.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyrazol-4-amine is sourced from PubChem (CID 62138465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).