5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride

C17H22ClN5O3 — CID 120635586

IUPAC5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H21N5O3.ClH/c1-12-2-3-13(18)8-15(12)17(24)20-14-9-19-22(10-14)11-16(23)21-4-6-25-7-5-21;/h2-3,8-10H,4-7,11,18H2,1H3,(H,20,24);1H
InChIKeyYSQYOIKMNKSJBR-UHFFFAOYSA-N
MW379.85 g/mol
LogP1.31
Rot. Bonds4

About 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride

5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride (PubChem CID 120635586) has the molecular formula C17H22ClN5O3 and a molecular weight of 379.85 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride
PubChem CID120635586
Molecular FormulaC17H22ClN5O3
Molecular Weight379.85 g/mol
Exact Mass379.14
IUPAC Name5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1.Cl
InChIInChI=1S/C17H21N5O3.ClH/c1-12-2-3-13(18)8-15(12)17(24)20-14-9-19-22(10-14)11-16(23)21-4-6-25-7-5-21;/h2-3,8-10H,4-7,11,18H2,1H3,(H,20,24);1H
InChIKeyYSQYOIKMNKSJBR-UHFFFAOYSA-N
XLogP1.31
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-methyl-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 120620954
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CID 119951973
5-amino-N-[1-[2-(azepan-1-yl)-2-oxoethyl]-1,2,4-triazol-3-yl]-2-methylbenzamide;hydrochloride
CID 120629308
1-amino-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 119333469
5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354
1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylic acid
CID 19622291
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrazole-4-carboxylate
CID 171315068
ethyl 2-[4-[(5-amino-2-methylbenzoyl)amino]pyrazol-1-yl]-2-methylpropanoate
CID 120639197
5-amino-2-methyl-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 120640346
4-amino-2-chloro-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 61103330
2-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]benzamide
CID 119945711
5-amino-2-methyl-N-[[3-(3-morpholin-4-ylpropanoylamino)phenyl]methyl]benzamide;dihydrochloride
CID 120642238

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride (CID 120635586) is 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride is Cc1ccc(N)cc1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride?
The InChIKey is YSQYOIKMNKSJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3.ClH/c1-12-2-3-13(18)8-15(12)17(24)20-14-9-19-22(10-14)11-16(23)21-4-6-25-7-5-21;/h2-3,8-10H,4-7,11,18H2,1H3,(H,20,24);1H.
What are the key properties of 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride?
5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride has a molecular weight of 379.85 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 120635586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).