4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine

C11H15ClN4S — CID 82880631

IUPAC4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCC(C)(C)Cc1nn(-c2nccs2)c(N)c1Cl
InChIInChI=1S/C11H15ClN4S/c1-11(2,3)6-7-8(12)9(13)16(15-7)10-14-4-5-17-10/h4-5H,6,13H2,1-3H3
InChIKeyABXVPPVJKGHXKH-UHFFFAOYSA-N
MW270.79 g/mol
LogP3.15
Rot. Bonds2

About 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine

4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine (PubChem CID 82880631) has the molecular formula C11H15ClN4S and a molecular weight of 270.79 g/mol. Its IUPAC name is 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
PubChem CID82880631
Molecular FormulaC11H15ClN4S
Molecular Weight270.79 g/mol
Exact Mass270.07
IUPAC Name4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
SMILESCC(C)(C)Cc1nn(-c2nccs2)c(N)c1Cl
InChIInChI=1S/C11H15ClN4S/c1-11(2,3)6-7-8(12)9(13)16(15-7)10-14-4-5-17-10/h4-5H,6,13H2,1-3H3
InChIKeyABXVPPVJKGHXKH-UHFFFAOYSA-N
XLogP3.15
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-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

3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880873
2-(3,5-ditert-butylpyrazol-1-yl)-1,3-thiazole
CID 82880303
3-methyl-4-nitro-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82878905
3-N-ethyl-1-(1,3-thiazol-2-yl)-1,2,4-triazole-3,5-diamine
CID 58976457
3,5-dimethyl-1-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 61176031
5-amino-1-(1,3-thiazol-2-yl)-3-(3,3,3-trifluoropropylamino)pyrazole-4-carbonitrile
CID 102796825
4-nitro-3-propan-2-yl-1-(1,3-thiazol-2-yl)pyrazol-5-amine
CID 82880630
2-(1,3-thiazol-2-yl)pyrazol-3-amine
CID 82879868
3,3-dimethyl-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 70866199
5-ethylsulfonyl-3-(1,3-thiazol-2-yl)triazol-4-amine
CID 82220973
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
ethyl 5-amino-1-(1,3-thiazol-2-yl)pyrazole-4-carboxylate
CID 14051868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The IUPAC name of 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine (CID 82880631) is 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine is CC(C)(C)Cc1nn(-c2nccs2)c(N)c1Cl.
What is the InChIKey of 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
The InChIKey is ABXVPPVJKGHXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4S/c1-11(2,3)6-7-8(12)9(13)16(15-7)10-14-4-5-17-10/h4-5H,6,13H2,1-3H3.
What are the key properties of 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine?
4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine has a molecular weight of 270.79 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,2-dimethylpropyl)-1-(1,3-thiazol-2-yl)pyrazol-5-amine is sourced from PubChem (CID 82880631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).