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

C13H19N3S — CID 54866423

IUPAC3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1ccsc1
InChIInChI=1S/C13H19N3S/c1-9(2)16-11(4)13(10(3)15-16)14-7-12-5-6-17-8-12/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVMVFFWGLDJVICZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP3.75
Rot. Bonds4

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

3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 54866423) has the molecular formula C13H19N3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID54866423
Molecular FormulaC13H19N3S
Molecular Weight249.38 g/mol
Exact Mass249.13
IUPAC Name3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1ccsc1
InChIInChI=1S/C13H19N3S/c1-9(2)16-11(4)13(10(3)15-16)14-7-12-5-6-17-8-12/h5-6,8-9,14H,7H2,1-4H3
InChIKeyVMVFFWGLDJVICZ-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 54866423) is 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NCc1ccsc1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is VMVFFWGLDJVICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3S/c1-9(2)16-11(4)13(10(3)15-16)14-7-12-5-6-17-8-12/h5-6,8-9,14H,7H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine has a molecular weight of 249.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 54866423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).