4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride

C22H27ClN4O2 — CID 120587927

IUPAC4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cc(-c2ccccc2C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-16-8-6-7-11-19(16)20-13-21(24-22(27)12-18(14-23)28-2)26(25-20)15-17-9-4-3-5-10-17;/h3-11,13,18H,12,14-15,23H2,1-2H3,(H,24,27);1H
InChIKeyIMKCJQIIZXUWAF-UHFFFAOYSA-N
MW414.94 g/mol
LogP3.63
Rot. Bonds8

About 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride

4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride (PubChem CID 120587927) has the molecular formula C22H27ClN4O2 and a molecular weight of 414.94 g/mol. Its IUPAC name is 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride
PubChem CID120587927
Molecular FormulaC22H27ClN4O2
Molecular Weight414.94 g/mol
Exact Mass414.18
IUPAC Name4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride
SMILESCOC(CN)CC(=O)Nc1cc(-c2ccccc2C)nn1Cc1ccccc1.Cl
InChIInChI=1S/C22H26N4O2.ClH/c1-16-8-6-7-11-19(16)20-13-21(24-22(27)12-18(14-23)28-2)26(25-20)15-17-9-4-3-5-10-17;/h3-11,13,18H,12,14-15,23H2,1-2H3,(H,24,27);1H
InChIKeyIMKCJQIIZXUWAF-UHFFFAOYSA-N
XLogP3.63
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.94
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]butanamide
CID 119813507
N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 47076292
4-amino-N-(1-benzylpyrazol-4-yl)-3-methoxybutanamide;hydrochloride
CID 120589702
3-amino-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 119340679
3-amino-N-(1-benzyl-3-tert-butylpyrazol-5-yl)butanamide;hydrochloride
CID 119704784
4-amino-3-methoxy-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]butanamide;hydrochloride
CID 120588772
1-benzyl-5-methyl-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrazole-4-carboxamide
CID 99817337
(2S)-2-methoxy-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]propanamide
CID 96521758
N-[1-(2-hydroxyethyl)-3-(2-methylphenyl)pyrazol-5-yl]-2-propoxyacetamide
CID 110928306
N-(2-benzyl-5-methylpyrazol-3-yl)-2-hydroxy-2-phenylacetamide
CID 111432479
4-amino-3-methoxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide;hydrochloride
CID 120586519
4-amino-3-methoxy-N-(2-methyl-4-phenylsulfanylphenyl)butanamide
CID 120590312

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride (CID 120587927) is 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride is COC(CN)CC(=O)Nc1cc(-c2ccccc2C)nn1Cc1ccccc1.Cl.
What is the InChIKey of 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride?
The InChIKey is IMKCJQIIZXUWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.ClH/c1-16-8-6-7-11-19(16)20-13-21(24-22(27)12-18(14-23)28-2)26(25-20)15-17-9-4-3-5-10-17;/h3-11,13,18H,12,14-15,23H2,1-2H3,(H,24,27);1H.
What are the key properties of 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride?
4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride has a molecular weight of 414.94 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-benzyl-3-(2-methylphenyl)pyrazol-5-yl]-3-methoxybutanamide;hydrochloride is sourced from PubChem (CID 120587927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).