3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

C14H26N4O — CID 79236452

IUPAC3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10-12(11(2)18(6)17-10)9-15-13(19)7-8-16-14(3,4)5/h16H,7-9H2,1-6H3,(H,15,19)
InChIKeyNKMDEVIMRAXXTK-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.43
Rot. Bonds5

About 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide

3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (PubChem CID 79236452) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
PubChem CID79236452
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
SMILESCc1nn(C)c(C)c1CNC(=O)CCNC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-10-12(11(2)18(6)17-10)9-15-13(19)7-8-16-14(3,4)5/h16H,7-9H2,1-6H3,(H,15,19)
InChIKeyNKMDEVIMRAXXTK-UHFFFAOYSA-N
XLogP1.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119725168
2-sulfanyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 79237772
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251
methyl N-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamate
CID 110731133
3-[4-(dimethylamino)phenyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 110441139
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
N-(2-hydroxy-2-methylbutyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 65114850
(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
3-hydroxy-3-methyl-4-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamoylamino]butanoic acid
CID 79233236
N-(pyridin-4-ylmethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47134470
2-(5-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282263

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide (CID 79236452) is 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is Cc1nn(C)c(C)c1CNC(=O)CCNC(C)(C)C.
What is the InChIKey of 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
The InChIKey is NKMDEVIMRAXXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10-12(11(2)18(6)17-10)9-15-13(19)7-8-16-14(3,4)5/h16H,7-9H2,1-6H3,(H,15,19).
What are the key properties of 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide?
3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 79236452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).