N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride

C22H27ClN4O — CID 120886647

IUPACN-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1cccc(-n2ncc(C(=O)N(CCN)CCc3ccccc3)c2C)c1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-17-7-6-10-20(15-17)26-18(2)21(16-24-26)22(27)25(14-12-23)13-11-19-8-4-3-5-9-19;/h3-10,15-16H,11-14,23H2,1-2H3;1H
InChIKeyHNLALYAVOWCCGY-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.55
Rot. Bonds7

About N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride (PubChem CID 120886647) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride
PubChem CID120886647
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride
SMILESCc1cccc(-n2ncc(C(=O)N(CCN)CCc3ccccc3)c2C)c1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-17-7-6-10-20(15-17)26-18(2)21(16-24-26)22(27)25(14-12-23)13-11-19-8-4-3-5-9-19;/h3-10,15-16H,11-14,23H2,1-2H3;1H
InChIKeyHNLALYAVOWCCGY-UHFFFAOYSA-N
XLogP3.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]-propylamino]acetic acid
CID 119204742
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 120886612
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)-1-propan-2-ylpyrrole-3-carboxamide;hydrochloride
CID 120885313
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
2-[methyl-[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 119208682
N-(2-aminoethyl)-5-methyl-N-(2-phenylethyl)-1H-indazole-7-carboxamide;hydrochloride
CID 120885435
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-5-bromo-2-methyl-N-(2-phenylethyl)benzamide
CID 120884508
N-(2-aminoethyl)-2-(3-methylphenyl)-N-(2-phenylethyl)propanamide;hydrochloride
CID 120885187
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
3-[ethyl-(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119191202

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride (CID 120886647) is N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride is Cc1cccc(-n2ncc(C(=O)N(CCN)CCc3ccccc3)c2C)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is HNLALYAVOWCCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.ClH/c1-17-7-6-10-20(15-17)26-18(2)21(16-24-26)22(27)25(14-12-23)13-11-19-8-4-3-5-9-19;/h3-10,15-16H,11-14,23H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-1-(3-methylphenyl)-N-(2-phenylethyl)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120886647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).