3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide

C15H29N5O — CID 106916687

IUPAC3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C15H29N5O/c1-11-12(10-17-15(2,3)4)14(20(7)18-11)19(6)9-8-13(21)16-5/h17H,8-10H2,1-7H3,(H,16,21)
InChIKeyLFIBUMIJUQODQP-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.19
Rot. Bonds6

About 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide

3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide (PubChem CID 106916687) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide
PubChem CID106916687
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1c(CNC(C)(C)C)c(C)nn1C
InChIInChI=1S/C15H29N5O/c1-11-12(10-17-15(2,3)4)14(20(7)18-11)19(6)9-8-13(21)16-5/h17H,8-10H2,1-7H3,(H,16,21)
InChIKeyLFIBUMIJUQODQP-UHFFFAOYSA-N
XLogP1.19
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(2-methylbutan-2-yl)pyrazol-5-amine
CID 63967076
2-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-propan-2-ylamino]ethanol
CID 63069953
4-[(tert-butylamino)methyl]-N-cyclopentyl-N,1,3-trimethylpyrazol-5-amine
CID 63061086
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
CID 63058622
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(thiophen-2-ylmethyl)pyrazol-5-amine
CID 63060030
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine
CID 115986343
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
4-[(tert-butylamino)methyl]-N-ethyl-1,3-dimethyl-N-(2-methylpropyl)pyrazol-5-amine
CID 63059837
3-[2-[(tert-butylamino)methyl]-5-chloro-N-methylanilino]-N-methylpropanamide
CID 106916789
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033
3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236452
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide (CID 106916687) is 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1c(CNC(C)(C)C)c(C)nn1C.
What is the InChIKey of 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide?
The InChIKey is LFIBUMIJUQODQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-11-12(10-17-15(2,3)4)14(20(7)18-11)19(6)9-8-13(21)16-5/h17H,8-10H2,1-7H3,(H,16,21).
What are the key properties of 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide?
3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide has a molecular weight of 295.43 g/mol, XLogP of 1.19, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(tert-butylamino)methyl]-1,3-dimethylpyrazol-5-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106916687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).