1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine

C11H16N4S — CID 82881128

IUPAC1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(-c2nccs2)c(C)c1CC(C)N
InChIInChI=1S/C11H16N4S/c1-7(12)6-10-8(2)14-15(9(10)3)11-13-4-5-16-11/h4-5,7H,6,12H2,1-3H3
InChIKeyAMPFQCVOKKGNSQ-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.84
Rot. Bonds3

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

1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine (PubChem CID 82881128) has the molecular formula C11H16N4S and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine
PubChem CID82881128
Molecular FormulaC11H16N4S
Molecular Weight236.34 g/mol
Exact Mass236.11
IUPAC Name1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine
SMILESCc1nn(-c2nccs2)c(C)c1CC(C)N
InChIInChI=1S/C11H16N4S/c1-7(12)6-10-8(2)14-15(9(10)3)11-13-4-5-16-11/h4-5,7H,6,12H2,1-3H3
InChIKeyAMPFQCVOKKGNSQ-UHFFFAOYSA-N
XLogP1.84
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]-2-methylpropanoic acid
CID 82878908
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
N-[(2-chloro-4-fluorophenyl)methyl]-2-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]acetamide
CID 25106921
[5-(2-methylpropyl)-1-(1,3-thiazol-2-yl)triazol-4-yl]methanamine
CID 82220922
N'-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111033835
1-[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817668
1-[1-(1,3-thiazol-2-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721122
3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880873
2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
4-cyano-3-methyl-1-(1,3-thiazol-2-yl)pyrazole-5-sulfonamide
CID 116647294

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine (CID 82881128) is 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine is Cc1nn(-c2nccs2)c(C)c1CC(C)N.
What is the InChIKey of 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine?
The InChIKey is AMPFQCVOKKGNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4S/c1-7(12)6-10-8(2)14-15(9(10)3)11-13-4-5-16-11/h4-5,7H,6,12H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine?
1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine has a molecular weight of 236.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 82881128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).