1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine

C14H21N3S — CID 63094958

IUPAC1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(Cc2ccsc2)c1C
InChIInChI=1S/C14H21N3S/c1-4-13(15)7-14-10(2)16-17(11(14)3)8-12-5-6-18-9-12/h5-6,9,13H,4,7-8,15H2,1-3H3
InChIKeyZPTCZWSZCGBMCI-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.89
Rot. Bonds5

About 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine

1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine (PubChem CID 63094958) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine
PubChem CID63094958
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine
SMILESCCC(N)Cc1c(C)nn(Cc2ccsc2)c1C
InChIInChI=1S/C14H21N3S/c1-4-13(15)7-14-10(2)16-17(11(14)3)8-12-5-6-18-9-12/h5-6,9,13H,4,7-8,15H2,1-3H3
InChIKeyZPTCZWSZCGBMCI-UHFFFAOYSA-N
XLogP2.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-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

Related Compounds

1-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62730775
1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]-N-methylmethanamine
CID 43647714
1-[3,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731853
2-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]acetic acid
CID 61294642
1-[1-[(5-bromo-2-pyridinyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 104811061
1-[1-[(2,4-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 62729526
1-[1-[(5-bromo-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 62731319
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]butan-2-amine
CID 62730420
1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 62730421
1-[3,5-dimethyl-1-(3-methylsulfanylpropyl)pyrazol-4-yl]butan-2-amine
CID 113474357
1-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]butan-2-amine
CID 65178268
1-[3,5-dimethyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]butan-2-amine
CID 106720925

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine (CID 63094958) is 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine is CCC(N)Cc1c(C)nn(Cc2ccsc2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine?
The InChIKey is ZPTCZWSZCGBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-4-13(15)7-14-10(2)16-17(11(14)3)8-12-5-6-18-9-12/h5-6,9,13H,4,7-8,15H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine?
1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine has a molecular weight of 263.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(thiophen-3-ylmethyl)pyrazol-4-yl]butan-2-amine is sourced from PubChem (CID 63094958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).