1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine

C11H15N3S — CID 43435096

IUPAC1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(Cn1cccn1)NCc1ccsc1
InChIInChI=1S/C11H15N3S/c1-10(8-14-5-2-4-13-14)12-7-11-3-6-15-9-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyONSJTEVIOSIDMC-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.12
Rot. Bonds5

About 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine

1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine (PubChem CID 43435096) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine
PubChem CID43435096
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine
SMILESCC(Cn1cccn1)NCc1ccsc1
InChIInChI=1S/C11H15N3S/c1-10(8-14-5-2-4-13-14)12-7-11-3-6-15-9-11/h2-6,9-10,12H,7-8H2,1H3
InChIKeyONSJTEVIOSIDMC-UHFFFAOYSA-N
XLogP2.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine (CID 43435096) is 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine is CC(Cn1cccn1)NCc1ccsc1.
What is the InChIKey of 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine?
The InChIKey is ONSJTEVIOSIDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-10(8-14-5-2-4-13-14)12-7-11-3-6-15-9-11/h2-6,9-10,12H,7-8H2,1H3.
What are the key properties of 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine?
1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazol-1-yl-N-(thiophen-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 43435096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).