N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride

C17H25ClN4O — CID 119653973

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
SMILESCc1cnn(-c2ccc(C(=O)N(C)CC(C)(C)CN)cc2)c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-13-9-19-21(10-13)15-7-5-14(6-8-15)16(22)20(4)12-17(2,3)11-18;/h5-10H,11-12,18H2,1-4H3;1H
InChIKeyKAQBFMQVYNGKJA-UHFFFAOYSA-N
MW336.87 g/mol
LogP2.66
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride (PubChem CID 119653973) has the molecular formula C17H25ClN4O and a molecular weight of 336.87 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
PubChem CID119653973
Molecular FormulaC17H25ClN4O
Molecular Weight336.87 g/mol
Exact Mass336.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
SMILESCc1cnn(-c2ccc(C(=O)N(C)CC(C)(C)CN)cc2)c1.Cl
InChIInChI=1S/C17H24N4O.ClH/c1-13-9-19-21(10-13)15-7-5-14(6-8-15)16(22)20(4)12-17(2,3)11-18;/h5-10H,11-12,18H2,1-4H3;1H
InChIKeyKAQBFMQVYNGKJA-UHFFFAOYSA-N
XLogP2.66
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119655061
2-amino-1-[4-(4-methylpyrazol-1-yl)phenyl]ethanone
CID 82393844
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(2-amino-2-ethylbutyl)-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119641088
N-[3-(aminomethyl)pentan-3-yl]-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride
CID 119569798
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119652642
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119653778
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
N-(3-amino-2,2-dimethylpropyl)-1-(4-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119653761

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride (CID 119653973) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride is Cc1cnn(-c2ccc(C(=O)N(C)CC(C)(C)CN)cc2)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride?
The InChIKey is KAQBFMQVYNGKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O.ClH/c1-13-9-19-21(10-13)15-7-5-14(6-8-15)16(22)20(4)12-17(2,3)11-18;/h5-10H,11-12,18H2,1-4H3;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride has a molecular weight of 336.87 g/mol, XLogP of 2.66, 5 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-4-(4-methylpyrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 119653973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).