4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine

C16H32N4 — CID 63967076

IUPAC4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine
SMILESCCC(C)(C)N(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C16H32N4/c1-10-16(6,7)19(8)14-13(11-17-15(3,4)5)12(2)18-20(14)9/h17H,10-11H2,1-9H3
InChIKeyCYMOGTPLARFUPD-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.24
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine (PubChem CID 63967076) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine
PubChem CID63967076
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine
SMILESCCC(C)(C)N(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C16H32N4/c1-10-16(6,7)19(8)14-13(11-17-15(3,4)5)12(2)18-20(14)9/h17H,10-11H2,1-9H3
InChIKeyCYMOGTPLARFUPD-UHFFFAOYSA-N
XLogP3.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine (CID 63967076) is 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine is CCC(C)(C)N(C)c1c(CNC(C)(C)C)c(C)nn1C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine?
The InChIKey is CYMOGTPLARFUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-10-16(6,7)19(8)14-13(11-17-15(3,4)5)12(2)18-20(14)9/h17H,10-11H2,1-9H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine?
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine has a molecular weight of 280.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 63967076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).