4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine

C16H32N4 — CID 63058622

IUPAC4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
SMILESCCCC(C)N(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C16H32N4/c1-9-10-12(2)19(7)15-14(11-17-16(4,5)6)13(3)18-20(15)8/h12,17H,9-11H2,1-8H3
InChIKeyAKPWGEVZPPJFEK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.24
Rot. Bonds6

About 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine (PubChem CID 63058622) 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-pentan-2-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
PubChem CID63058622
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
SMILESCCCC(C)N(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C16H32N4/c1-9-10-12(2)19(7)15-14(11-17-16(4,5)6)13(3)18-20(15)8/h12,17H,9-11H2,1-8H3
InChIKeyAKPWGEVZPPJFEK-UHFFFAOYSA-N
XLogP3.24
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine
CID 115986343
4-[(tert-butylamino)methyl]-N-ethyl-1,3-dimethyl-N-(2-methylpropyl)pyrazol-5-amine
CID 63059837
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine
CID 63967076
4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine
CID 63061086
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943
2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol
CID 63069953
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide
CID 106916687
4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
CID 107080060
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63060030
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
N-(1-cyclopropylethyl)-4-(ethylaminomethyl)-N,1,3-trimethylpyrazol-5-amine
CID 43569435

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine (CID 63058622) is 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine is CCCC(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-pentan-2-ylpyrazol-5-amine?
The InChIKey is AKPWGEVZPPJFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-9-10-12(2)19(7)15-14(11-17-16(4,5)6)13(3)18-20(15)8/h12,17H,9-11H2,1-8H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine?
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine has a molecular weight of 280.46 g/mol, XLogP of 3.24, 6 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-pentan-2-ylpyrazol-5-amine is sourced from PubChem (CID 63058622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).