5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride

C22H25ClN4O — CID 120626408

IUPAC5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1c(C)cnn1C1CCCc2ccccc21.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-14-10-11-17(23)12-19(14)22(27)25-21-15(2)13-24-26(21)20-9-5-7-16-6-3-4-8-18(16)20;/h3-4,6,8,10-13,20H,5,7,9,23H2,1-2H3,(H,25,27);1H
InChIKeyQOYFYHKOHYUJLX-UHFFFAOYSA-N
MW396.92 g/mol
LogP4.68
Rot. Bonds3

About 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride

5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride (PubChem CID 120626408) has the molecular formula C22H25ClN4O and a molecular weight of 396.92 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride
PubChem CID120626408
Molecular FormulaC22H25ClN4O
Molecular Weight396.92 g/mol
Exact Mass396.17
IUPAC Name5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1c(C)cnn1C1CCCc2ccccc21.Cl
InChIInChI=1S/C22H24N4O.ClH/c1-14-10-11-17(23)12-19(14)22(27)25-21-15(2)13-24-26(21)20-9-5-7-16-6-3-4-8-18(16)20;/h3-4,6,8,10-13,20H,5,7,9,23H2,1-2H3,(H,25,27);1H
InChIKeyQOYFYHKOHYUJLX-UHFFFAOYSA-N
XLogP4.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]pyrazole-3-carboxamide
CID 97068319
3-methyl-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,2-oxazole-5-carboxamide
CID 95150327
N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]thiadiazole-4-carboxamide
CID 56786892
4-amino-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]butanamide;hydrochloride
CID 119307223
(3S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]piperidine-3-carboxamide
CID 99701920
5-amino-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 62304912
N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826506
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 52826507
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-1,4-dioxane-2-carboxamide
CID 95283928
N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 52506510
(2S)-N-[4-methyl-1-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]-2-(4-nitrophenyl)sulfanylpropanamide
CID 52507457
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide
CID 52516791

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride (CID 120626408) is 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)Nc1c(C)cnn1C1CCCc2ccccc21.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride?
The InChIKey is QOYFYHKOHYUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O.ClH/c1-14-10-11-17(23)12-19(14)22(27)25-21-15(2)13-24-26(21)20-9-5-7-16-6-3-4-8-18(16)20;/h3-4,6,8,10-13,20H,5,7,9,23H2,1-2H3,(H,25,27);1H.
What are the key properties of 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride?
5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 4.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[4-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazol-5-yl]benzamide;hydrochloride is sourced from PubChem (CID 120626408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).