1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine

C16H17N3S — CID 79405275

IUPAC1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCCCc1c(-c2ccsc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H17N3S/c1-2-6-14-15(12-9-10-20-11-12)18-19(16(14)17)13-7-4-3-5-8-13/h3-5,7-11H,2,6,17H2,1H3
InChIKeyKPVRCOKBPFLHAO-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.14
Rot. Bonds4

About 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine

1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine (PubChem CID 79405275) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine
PubChem CID79405275
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine
SMILESCCCc1c(-c2ccsc2)nn(-c2ccccc2)c1N
InChIInChI=1S/C16H17N3S/c1-2-6-14-15(12-9-10-20-11-12)18-19(16(14)17)13-7-4-3-5-8-13/h3-5,7-11H,2,6,17H2,1H3
InChIKeyKPVRCOKBPFLHAO-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine?
The IUPAC name of 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine (CID 79405275) is 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine.
What is the SMILES notation for 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine?
The canonical SMILES for 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine is CCCc1c(-c2ccsc2)nn(-c2ccccc2)c1N.
What is the InChIKey of 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine?
The InChIKey is KPVRCOKBPFLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-6-14-15(12-9-10-20-11-12)18-19(16(14)17)13-7-4-3-5-8-13/h3-5,7-11H,2,6,17H2,1H3.
What are the key properties of 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine?
1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine has a molecular weight of 283.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-propyl-3-thiophen-3-ylpyrazol-5-amine is sourced from PubChem (CID 79405275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).