5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine

C11H15N3S — CID 79803024

IUPAC5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1cscc1C
InChIInChI=1S/C11H15N3S/c1-3-4-8-10(13-14-11(8)12)9-6-15-5-7(9)2/h5-6H,3-4H2,1-2H3,(H3,12,13,14)
InChIKeyXTRRRFYVLMDEEL-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.98
Rot. Bonds3

About 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine

5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine (PubChem CID 79803024) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine
PubChem CID79803024
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1cscc1C
InChIInChI=1S/C11H15N3S/c1-3-4-8-10(13-14-11(8)12)9-6-15-5-7(9)2/h5-6H,3-4H2,1-2H3,(H3,12,13,14)
InChIKeyXTRRRFYVLMDEEL-UHFFFAOYSA-N
XLogP2.98
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine (CID 79803024) is 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine is CCCc1c(N)n[nH]c1-c1cscc1C.
What is the InChIKey of 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine?
The InChIKey is XTRRRFYVLMDEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-4-8-10(13-14-11(8)12)9-6-15-5-7(9)2/h5-6H,3-4H2,1-2H3,(H3,12,13,14).
What are the key properties of 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine?
5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine has a molecular weight of 221.33 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiophen-3-yl)-4-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79803024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).