4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride

C13H25ClN4O — CID 119731648

IUPAC4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1c(C)nn(C)c1C.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-10-12(11(2)17(4)16-10)7-9-15-13(18)6-5-8-14-3;/h14H,5-9H2,1-4H3,(H,15,18);1H
InChIKeyLCNIDEYRXHXJMD-UHFFFAOYSA-N
MW288.82 g/mol
LogP1.12
Rot. Bonds7

About 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride

4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride (PubChem CID 119731648) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
PubChem CID119731648
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC Name4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride
SMILESCNCCCC(=O)NCCc1c(C)nn(C)c1C.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-10-12(11(2)17(4)16-10)7-9-15-13(18)6-5-8-14-3;/h14H,5-9H2,1-4H3,(H,15,18);1H
InChIKeyLCNIDEYRXHXJMD-UHFFFAOYSA-N
XLogP1.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]butanamide;hydrochloride
CID 119725168
N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]pentanamide
CID 86930102
3-amino-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 110460217
2-methyl-3-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 119731668
N-[2-(dimethylamino)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110685688
N-[3-(methylamino)propyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxyacetamide;hydrochloride
CID 119433105
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
N-[2-(methylamino)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 120831693
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
3-indol-1-yl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]propanamide
CID 86930499
N-[2-(4-methylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 38449993

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride?
The IUPAC name of 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride (CID 119731648) is 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride?
The canonical SMILES for 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride is CNCCCC(=O)NCCc1c(C)nn(C)c1C.Cl.
What is the InChIKey of 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride?
The InChIKey is LCNIDEYRXHXJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-10-12(11(2)17(4)16-10)7-9-15-13(18)6-5-8-14-3;/h14H,5-9H2,1-4H3,(H,15,18);1H.
What are the key properties of 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride?
4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119731648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).