N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide

C14H26N4O — CID 78990459

IUPACN-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
SMILESCc1nn(C)c(C)c1CNC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-9-12(11(3)18(7)17-9)8-15-10(2)13(19)16-14(4,5)6/h10,15H,8H2,1-7H3,(H,16,19)
InChIKeyKUBMFIXSJALNRB-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.43
Rot. Bonds4

About N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide

N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide (PubChem CID 78990459) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
PubChem CID78990459
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
SMILESCc1nn(C)c(C)c1CNC(C)C(=O)NC(C)(C)C
InChIInChI=1S/C14H26N4O/c1-9-12(11(3)18(7)17-9)8-15-10(2)13(19)16-14(4,5)6/h10,15H,8H2,1-7H3,(H,16,19)
InChIKeyKUBMFIXSJALNRB-UHFFFAOYSA-N
XLogP1.43
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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

(2S)-2-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236660
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 79236312
3-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-1-ol
CID 79254884
propan-2-yl 2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]acetate
CID 79237085
3-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]butan-2-ol
CID 111422037
4-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pentan-1-ol
CID 61246554
1-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 79225182
tert-butyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 75447083
3-(tert-butylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propanamide
CID 79236452
1-methoxy-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
CID 43180580
N-tert-butyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43087569
2-methyl-3-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide
CID 79236503

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide (CID 78990459) is N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide is Cc1nn(C)c(C)c1CNC(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is KUBMFIXSJALNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-9-12(11(3)18(7)17-9)8-15-10(2)13(19)16-14(4,5)6/h10,15H,8H2,1-7H3,(H,16,19).
What are the key properties of N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide?
N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 266.39 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 78990459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).