3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine

C12H18N4S — CID 71938465

IUPAC3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cscn1
InChIInChI=1S/C12H18N4S/c1-8(2)16-10(4)12(9(3)15-16)13-5-11-6-17-7-14-11/h6-8,13H,5H2,1-4H3
InChIKeyLSHOTEIQGFBQGE-UHFFFAOYSA-N
MW250.37 g/mol
LogP3.15
Rot. Bonds4

About 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine

3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine (PubChem CID 71938465) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
PubChem CID71938465
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cscn1
InChIInChI=1S/C12H18N4S/c1-8(2)16-10(4)12(9(3)15-16)13-5-11-6-17-7-14-11/h6-8,13H,5H2,1-4H3
InChIKeyLSHOTEIQGFBQGE-UHFFFAOYSA-N
XLogP3.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine (CID 71938465) is 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NCc1cscn1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
The InChIKey is LSHOTEIQGFBQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-8(2)16-10(4)12(9(3)15-16)13-5-11-6-17-7-14-11/h6-8,13H,5H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine?
3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine has a molecular weight of 250.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 71938465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).