N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride

C14H19ClN4O — CID 119382600

IUPACN-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)NCCN)c1C.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-10-5-3-4-6-13(10)18-11(2)12(9-17-18)14(19)16-8-7-15;/h3-6,9H,7-8,15H2,1-2H3,(H,16,19);1H
InChIKeyADJXCXPPPNQVBE-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.60
Rot. Bonds4

About N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 119382600) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID119382600
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1ccccc1-n1ncc(C(=O)NCCN)c1C.Cl
InChIInChI=1S/C14H18N4O.ClH/c1-10-5-3-4-6-13(10)18-11(2)12(9-17-18)14(19)16-8-7-15;/h3-6,9H,7-8,15H2,1-2H3,(H,16,19);1H
InChIKeyADJXCXPPPNQVBE-UHFFFAOYSA-N
XLogP1.60
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(ethylamino)ethyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119505425
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CID 108793385
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788938
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
N-(2-amino-2-methylpropyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119629809
5-methyl-1-(2-methylphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818052
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
5-methyl-1-(2-methylphenyl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]pyrazole-4-carboxamide
CID 71889400
1-[[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544055
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-[2-(2,6-dichlorophenyl)ethyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 60566225

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride (CID 119382600) is N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride is Cc1ccccc1-n1ncc(C(=O)NCCN)c1C.Cl.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is ADJXCXPPPNQVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O.ClH/c1-10-5-3-4-6-13(10)18-11(2)12(9-17-18)14(19)16-8-7-15;/h3-6,9H,7-8,15H2,1-2H3,(H,16,19);1H.
What are the key properties of N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 294.79 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119382600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).