3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide

C11H20N4O — CID 110460217

IUPAC3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)c(C)c1CCNC(=O)CCN
InChIInChI=1S/C11H20N4O/c1-8-10(9(2)15(3)14-8)5-7-13-11(16)4-6-12/h4-7,12H2,1-3H3,(H,13,16)
InChIKeyRBOGYTQPIJURJJ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.04
Rot. Bonds5

About 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide

3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (PubChem CID 110460217) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
PubChem CID110460217
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
SMILESCc1nn(C)c(C)c1CCNC(=O)CCN
InChIInChI=1S/C11H20N4O/c1-8-10(9(2)15(3)14-8)5-7-13-11(16)4-6-12/h4-7,12H2,1-3H3,(H,13,16)
InChIKeyRBOGYTQPIJURJJ-UHFFFAOYSA-N
XLogP0.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
CID 119731648
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
3-amino-3-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119950099
3-indol-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930499
5-amino-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pentanamide
CID 79237251
2,2,2-trifluoro-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]acetamide
CID 110443234
1-propan-2-yl-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 110747749
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930032
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119731668
benzyl N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]carbamate
CID 110717257

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide (CID 110460217) is 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is Cc1nn(C)c(C)c1CCNC(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is RBOGYTQPIJURJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8-10(9(2)15(3)14-8)5-7-13-11(16)4-6-12/h4-7,12H2,1-3H3,(H,13,16).
What are the key properties of 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide?
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 224.31 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110460217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).