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

C15H30N4S — CID 115986343

IUPAC4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine
SMILESCSCC(C)N(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C15H30N4S/c1-11(10-20-8)18(6)14-13(9-16-15(3,4)5)12(2)17-19(14)7/h11,16H,9-10H2,1-8H3
InChIKeyGOXMRLHJMFVEBS-UHFFFAOYSA-N
MW298.50 g/mol
LogP2.80
Rot. Bonds6

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

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine (PubChem CID 115986343) has the molecular formula C15H30N4S and a molecular weight of 298.50 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine
PubChem CID115986343
Molecular FormulaC15H30N4S
Molecular Weight298.50 g/mol
Exact Mass298.22
IUPAC Name4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine
SMILESCSCC(C)N(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C15H30N4S/c1-11(10-20-8)18(6)14-13(9-16-15(3,4)5)12(2)17-19(14)7/h11,16H,9-10H2,1-8H3
InChIKeyGOXMRLHJMFVEBS-UHFFFAOYSA-N
XLogP2.80
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
CID 63058622
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
2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol
CID 63069953
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943
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
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
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-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine (CID 115986343) is 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine is CSCC(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-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine?
The InChIKey is GOXMRLHJMFVEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S/c1-11(10-20-8)18(6)14-13(9-16-15(3,4)5)12(2)17-19(14)7/h11,16H,9-10H2,1-8H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine?
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine has a molecular weight of 298.50 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine is sourced from PubChem (CID 115986343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).