4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride

C12H23ClN4O2 — CID 120589326

IUPAC4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCC(C)Cn1cccn1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-10(9-16-5-3-4-15-16)8-14-12(17)6-11(7-13)18-2;/h3-5,10-11H,6-9,13H2,1-2H3,(H,14,17);1H
InChIKeyBLKQLJIVBHOCPP-UHFFFAOYSA-N
MW290.80 g/mol
LogP0.42
Rot. Bonds8

About 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride

4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride (PubChem CID 120589326) has the molecular formula C12H23ClN4O2 and a molecular weight of 290.80 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride
PubChem CID120589326
Molecular FormulaC12H23ClN4O2
Molecular Weight290.80 g/mol
Exact Mass290.15
IUPAC Name4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCC(C)Cn1cccn1.Cl
InChIInChI=1S/C12H22N4O2.ClH/c1-10(9-16-5-3-4-15-16)8-14-12(17)6-11(7-13)18-2;/h3-5,10-11H,6-9,13H2,1-2H3,(H,14,17);1H
InChIKeyBLKQLJIVBHOCPP-UHFFFAOYSA-N
XLogP0.42
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-3-methoxy-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]butanamide;dihydrochloride
CID 120595717
4-amino-3-methoxy-N-(3-pyrazol-1-ylpropyl)butanamide
CID 103156610
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632
N-(2-methyl-3-pyrazol-1-ylpropyl)-3-piperidin-3-ylbutanamide
CID 119734124
4-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119734139
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclopentane-1-carboxamide;hydrochloride
CID 119734111
4-amino-N-(2-ethoxypropyl)-3-methoxybutanamide
CID 103156665
(2S,5R)-5-(aminomethyl)-N-(2-methyl-3-pyrazol-1-ylpropyl)oxolane-2-carboxamide;hydrochloride
CID 120788413
4-(4-ethoxyphenyl)-N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-4-oxobutanamide
CID 51951673
4-amino-N-(2-imidazol-1-ylethyl)-3-methoxybutanamide
CID 103155624
3-amino-N-(2-methyl-3-pyrazol-1-ylpropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119734117

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride (CID 120589326) is 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride is COC(CN)CC(=O)NCC(C)Cn1cccn1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
The InChIKey is BLKQLJIVBHOCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2.ClH/c1-10(9-16-5-3-4-15-16)8-14-12(17)6-11(7-13)18-2;/h3-5,10-11H,6-9,13H2,1-2H3,(H,14,17);1H.
What are the key properties of 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride?
4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride has a molecular weight of 290.80 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)butanamide;hydrochloride is sourced from PubChem (CID 120589326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).