N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride

C22H27ClN4O — CID 119629823

IUPACN-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)N)c(C)c1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-15-10-11-18(16(2)12-15)20-19(21(27)24-14-22(3,4)23)13-26(25-20)17-8-6-5-7-9-17;/h5-13H,14,23H2,1-4H3,(H,24,27);1H
InChIKeyZZUMTKAUGJKOOL-UHFFFAOYSA-N
MW398.94 g/mol
LogP4.05
Rot. Bonds5

About N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride

N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119629823) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
PubChem CID119629823
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)N)c(C)c1.Cl
InChIInChI=1S/C22H26N4O.ClH/c1-15-10-11-18(16(2)12-15)20-19(21(27)24-14-22(3,4)23)13-26(25-20)17-8-6-5-7-9-17;/h5-13H,14,23H2,1-4H3,(H,24,27);1H
InChIKeyZZUMTKAUGJKOOL-UHFFFAOYSA-N
XLogP4.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60558022
3-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1-phenylpyrazole-4-carboxamide
CID 29198559
methyl 4-[[3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]butanoate
CID 33234625
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712
3-(2,4-dimethylphenyl)-N-(1-hydroxybutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 112772009
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 55948413
cyanomethyl 3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxylate
CID 7465547
3-(2,4-dimethylphenyl)-1-phenyl-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55619283
3-(2,4-dimethylphenyl)-N'-(furan-2-carbonyl)-1-phenylpyrazole-4-carbohydrazide
CID 9366857
3-(2,4-dimethylphenyl)-N-[2-(3-ethynylanilino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 55950805
3-(2,4-dimethylphenyl)-N-[3-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 112767352
3-(2,4-dimethylphenyl)-N-(3-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 120557405

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride (CID 119629823) is N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C)(C)N)c(C)c1.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is ZZUMTKAUGJKOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O.ClH/c1-15-10-11-18(16(2)12-15)20-19(21(27)24-14-22(3,4)23)13-26(25-20)17-8-6-5-7-9-17;/h5-13H,14,23H2,1-4H3,(H,24,27);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride?
N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 398.94 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-3-(2,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119629823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).