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

C15H20N6S — CID 119044474

IUPAC1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine
SMILESCC(C)Cn1cc(NCc2nc(-c3cnn(C)c3)cs2)cn1
InChIInChI=1S/C15H20N6S/c1-11(2)7-21-9-13(5-18-21)16-6-15-19-14(10-22-15)12-4-17-20(3)8-12/h4-5,8-11,16H,6-7H2,1-3H3
InChIKeyDFAQUBOJVIEDDV-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.01
Rot. Bonds6

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

1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine (PubChem CID 119044474) has the molecular formula C15H20N6S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine
PubChem CID119044474
Molecular FormulaC15H20N6S
Molecular Weight316.43 g/mol
Exact Mass316.15
IUPAC Name1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine
SMILESCC(C)Cn1cc(NCc2nc(-c3cnn(C)c3)cs2)cn1
InChIInChI=1S/C15H20N6S/c1-11(2)7-21-9-13(5-18-21)16-6-15-19-14(10-22-15)12-4-17-20(3)8-12/h4-5,8-11,16H,6-7H2,1-3H3
InChIKeyDFAQUBOJVIEDDV-UHFFFAOYSA-N
XLogP3.01
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine (CID 119044474) is 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine is CC(C)Cn1cc(NCc2nc(-c3cnn(C)c3)cs2)cn1.
What is the InChIKey of 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine?
The InChIKey is DFAQUBOJVIEDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6S/c1-11(2)7-21-9-13(5-18-21)16-6-15-19-14(10-22-15)12-4-17-20(3)8-12/h4-5,8-11,16H,6-7H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine?
1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine has a molecular weight of 316.43 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 119044474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).