N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride

C16H23ClN4O — CID 119505425

IUPACN-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnn(-c2ccccc2C)c1C.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-4-17-9-10-18-16(21)14-11-19-20(13(14)3)15-8-6-5-7-12(15)2;/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21);1H
InChIKeyLITBOQBOXZJXAI-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.25
Rot. Bonds6

About N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride

N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119505425) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119505425
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1cnn(-c2ccccc2C)c1C.Cl
InChIInChI=1S/C16H22N4O.ClH/c1-4-17-9-10-18-16(21)14-11-19-20(13(14)3)15-8-6-5-7-12(15)2;/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21);1H
InChIKeyLITBOQBOXZJXAI-UHFFFAOYSA-N
XLogP2.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.25
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

N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
1-benzyl-N-[2-(ethylamino)ethyl]-5-methylpyrazole-4-carboxamide
CID 119508720
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
[4-(ethylaminomethyl)piperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 119644898
1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091
N-(3-acetamidopropyl)-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37175638
5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
CID 71889400
N-[2-(ethylamino)ethyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 113265553
N-(3,4-dimethylphenyl)sulfonyl-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 52671803

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride (CID 119505425) is N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride is CCNCCNC(=O)c1cnn(-c2ccccc2C)c1C.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is LITBOQBOXZJXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O.ClH/c1-4-17-9-10-18-16(21)14-11-19-20(13(14)3)15-8-6-5-7-12(15)2;/h5-8,11,17H,4,9-10H2,1-3H3,(H,18,21);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 322.84 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119505425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).