N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

C11H14ClN3S — CID 43435004

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3S/c1-9(8-15-6-2-5-14-15)13-7-10-3-4-11(12)16-10/h2-6,9,13H,7-8H2,1H3
InChIKeyVWUOQBPZIRJYCF-UHFFFAOYSA-N
MW255.77 g/mol
LogP2.78
Rot. Bonds5

About N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine

N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43435004) has the molecular formula C11H14ClN3S and a molecular weight of 255.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
PubChem CID43435004
Molecular FormulaC11H14ClN3S
Molecular Weight255.77 g/mol
Exact Mass255.06
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NCc1ccc(Cl)s1
InChIInChI=1S/C11H14ClN3S/c1-9(8-15-6-2-5-14-15)13-7-10-3-4-11(12)16-10/h2-6,9,13H,7-8H2,1H3
InChIKeyVWUOQBPZIRJYCF-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.77
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine (CID 43435004) is N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NCc1ccc(Cl)s1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is VWUOQBPZIRJYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3S/c1-9(8-15-6-2-5-14-15)13-7-10-3-4-11(12)16-10/h2-6,9,13H,7-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine?
N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 255.77 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43435004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).