1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine

C12H17N3S — CID 115923213

IUPAC1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
SMILESCc1c(NC(C)Cc2ccsc2)cnn1C
InChIInChI=1S/C12H17N3S/c1-9(6-11-4-5-16-8-11)14-12-7-13-15(3)10(12)2/h4-5,7-9,14H,6H2,1-3H3
InChIKeyJHCQDGLQSOINHC-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.83
Rot. Bonds4

About 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine

1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine (PubChem CID 115923213) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
PubChem CID115923213
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine
SMILESCc1c(NC(C)Cc2ccsc2)cnn1C
InChIInChI=1S/C12H17N3S/c1-9(6-11-4-5-16-8-11)14-12-7-13-15(3)10(12)2/h4-5,7-9,14H,6H2,1-3H3
InChIKeyJHCQDGLQSOINHC-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435566
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
4-bromo-2-(2-methoxyethyl)-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435565
4-bromo-2-prop-2-ynyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435559
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-thiophen-3-ylmethanamine
CID 19626535
6-ethyl-N-(1-thiophen-3-ylpropan-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 176500079
3-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbothioamide
CID 114288308
N-(1-thiophen-3-ylpropan-2-yl)quinazolin-2-amine
CID 114788976
6-(1-thiophen-3-ylpropan-2-ylamino)pyridine-3-carbonitrile
CID 47357833
5-fluoro-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 61474267
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
CID 62938696
5-methyl-2-(1-thiophen-3-ylpropan-2-ylamino)benzoic acid
CID 62516052

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine?
The IUPAC name of 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine (CID 115923213) is 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine?
The canonical SMILES for 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine is Cc1c(NC(C)Cc2ccsc2)cnn1C.
What is the InChIKey of 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine?
The InChIKey is JHCQDGLQSOINHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-9(6-11-4-5-16-8-11)14-12-7-13-15(3)10(12)2/h4-5,7-9,14H,6H2,1-3H3.
What are the key properties of 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine?
1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine has a molecular weight of 235.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(1-thiophen-3-ylpropan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 115923213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).