N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

C20H31ClN4O — CID 119652642

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2ncc(C(=O)N(C)CC(C)(C)CN)c2C(C)C)cc1.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-14(2)18-17(19(25)23(6)13-20(4,5)12-21)11-22-24(18)16-9-7-15(3)8-10-16;/h7-11,14H,12-13,21H2,1-6H3;1H
InChIKeyUXCLCEQLJKEMRT-UHFFFAOYSA-N
MW378.95 g/mol
LogP3.78
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119652642) has the molecular formula C20H31ClN4O and a molecular weight of 378.95 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119652642
Molecular FormulaC20H31ClN4O
Molecular Weight378.95 g/mol
Exact Mass378.22
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-n2ncc(C(=O)N(C)CC(C)(C)CN)c2C(C)C)cc1.Cl
InChIInChI=1S/C20H30N4O.ClH/c1-14(2)18-17(19(25)23(6)13-20(4,5)12-21)11-22-24(18)16-9-7-15(3)8-10-16;/h7-11,14H,12-13,21H2,1-6H3;1H
InChIKeyUXCLCEQLJKEMRT-UHFFFAOYSA-N
XLogP3.78
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.95
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
N-(2-amino-2-ethylbutyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119639876
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119653973
N-(3-amino-2,2-dimethylpropyl)-5-cyclopropyl-N-methyl-1-phenylpyrazole-4-carboxamide
CID 119655718
1-(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 110885932
N-(3-amino-4-methylpentyl)-1-(4-fluorophenyl)-N-methyl-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119659165
N-(3-amino-2,2-dimethylpropyl)-N,2,5-trimethylbenzamide
CID 79652780
4-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-methylamino]butanoic acid
CID 119172739
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-propan-2-ylpyrimidine-5-carboxamide
CID 119653982
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119655061
N-(2-amino-1-cyclopropylethyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119612978

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride (CID 119652642) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is Cc1ccc(-n2ncc(C(=O)N(C)CC(C)(C)CN)c2C(C)C)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is UXCLCEQLJKEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O.ClH/c1-14(2)18-17(19(25)23(6)13-20(4,5)12-21)11-22-24(18)16-9-7-15(3)8-10-16;/h7-11,14H,12-13,21H2,1-6H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 378.95 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119652642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).