1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine

C13H20N4S — CID 75442708

IUPAC1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
SMILESCCCCn1ncc(NCc2nc(C)cs2)c1C
InChIInChI=1S/C13H20N4S/c1-4-5-6-17-11(3)12(7-15-17)14-8-13-16-10(2)9-18-13/h7,9,14H,4-6,8H2,1-3H3
InChIKeyGEVGWYJFFCNUTN-UHFFFAOYSA-N
MW264.40 g/mol
LogP3.37
Rot. Bonds6

About 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine

1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 75442708) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
PubChem CID75442708
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
SMILESCCCCn1ncc(NCc2nc(C)cs2)c1C
InChIInChI=1S/C13H20N4S/c1-4-5-6-17-11(3)12(7-15-17)14-8-13-16-10(2)9-18-13/h7,9,14H,4-6,8H2,1-3H3
InChIKeyGEVGWYJFFCNUTN-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-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-(1,3-thiazol-2-yl)-1H-pyrazol-4-amine
CID 64993125
n-((2-Ethylthiazol-4-yl)methyl)-1-(1h-pyrazol-1-yl)propan-2-amine
CID 53522670
N-[(2-propyl-1,3-thiazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 53559006
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
CID 75393046
1-tert-butyl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434824
1-(2-methylpropyl)-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 75434831
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 75438787
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 84592705
N-(1,3-thiazol-4-ylmethyl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 84592807
3,5-dimethyl-1-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrazol-4-amine
CID 71938465
N-methyl-1-(5-methyl-1-propyl-1H-pyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 77096062

Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine (CID 75442708) is 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine is CCCCn1ncc(NCc2nc(C)cs2)c1C.
What is the InChIKey of 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is GEVGWYJFFCNUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-4-5-6-17-11(3)12(7-15-17)14-8-13-16-10(2)9-18-13/h7,9,14H,4-6,8H2,1-3H3.
What are the key properties of 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 264.40 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75442708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).