4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine

C14H20N4S — CID 55046428

IUPAC4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H20N4S/c1-10-13(14(15)17(2)16-10)9-18(11-5-6-11)8-12-4-3-7-19-12/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyLALASVYICBBVCC-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.54
Rot. Bonds5

About 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine

4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 55046428) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID55046428
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
SMILESCc1nn(C)c(N)c1CN(Cc1cccs1)C1CC1
InChIInChI=1S/C14H20N4S/c1-10-13(14(15)17(2)16-10)9-18(11-5-6-11)8-12-4-3-7-19-12/h3-4,7,11H,5-6,8-9,15H2,1-2H3
InChIKeyLALASVYICBBVCC-UHFFFAOYSA-N
XLogP2.54
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-cyclopropyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61449188
N-cyclopropyl-1,3-dimethyl-4-(methylaminomethyl)-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61448745
4-N-ethyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 62808156
N-ethyl-N-(thiophen-2-ylmethyl)cyclohexanamine
CID 69253511
4-N-ethyl-1-N-methyl-4-N-(thiophen-2-ylmethyl)cyclohexane-1,4-diamine
CID 114762984
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
N-[[3-(aminomethyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)cyclopropanamine
CID 61450995
1-N-cyclopropyl-2-methyl-1-N-(thiophen-2-ylmethyl)butane-1,2-diamine
CID 79811729
4-(chloromethyl)-N-ethyl-1,3-dimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 61437184
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-2-fluoroaniline
CID 63188821
1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-one
CID 62029716
(2R)-1-[cyclopropyl(thiophen-2-ylmethyl)amino]propan-2-ol
CID 106932763

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine (CID 55046428) is 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine is Cc1nn(C)c(N)c1CN(Cc1cccs1)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is LALASVYICBBVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-10-13(14(15)17(2)16-10)9-18(11-5-6-11)8-12-4-3-7-19-12/h3-4,7,11H,5-6,8-9,15H2,1-2H3.
What are the key properties of 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 276.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(thiophen-2-ylmethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 55046428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).