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

C12H18N4S — CID 75393046

IUPAC1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
SMILESCc1csc(CNc2cnn(CC(C)C)c2)n1
InChIInChI=1S/C12H18N4S/c1-9(2)6-16-7-11(4-14-16)13-5-12-15-10(3)8-17-12/h4,7-9,13H,5-6H2,1-3H3
InChIKeyIXHHQIQCEOQHHD-UHFFFAOYSA-N
MW250.37 g/mol
LogP2.92
Rot. Bonds5

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

1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine (PubChem CID 75393046) has the molecular formula C12H18N4S and a molecular weight of 250.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
PubChem CID75393046
Molecular FormulaC12H18N4S
Molecular Weight250.37 g/mol
Exact Mass250.13
IUPAC Name1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine
SMILESCc1csc(CNc2cnn(CC(C)C)c2)n1
InChIInChI=1S/C12H18N4S/c1-9(2)6-16-7-11(4-14-16)13-5-12-15-10(3)8-17-12/h4,7-9,13H,5-6H2,1-3H3
InChIKeyIXHHQIQCEOQHHD-UHFFFAOYSA-N
XLogP2.92
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]urea
CID 45803839
1-[2-(4-Methyl-1,3-thiazol-2-yl)ethyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 45828496
1-Methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methyl]urea
CID 51084067
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
1-(4-methylpyrazol-1-yl)-N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 53596188
2-(4-methylpyrazol-1-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 53614923
N-[[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 56781265
1-[1-(2-Methylpropyl)pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71870217
1-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71981513
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine (CID 75393046) is 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine is Cc1csc(CNc2cnn(CC(C)C)c2)n1.
What is the InChIKey of 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
The InChIKey is IXHHQIQCEOQHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S/c1-9(2)6-16-7-11(4-14-16)13-5-12-15-10(3)8-17-12/h4,7-9,13H,5-6H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine?
1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine has a molecular weight of 250.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazol-4-amine is sourced from PubChem (CID 75393046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).