N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride

C17H23ClF2N4O2 — CID 119657135

IUPACN-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C17H22F2N4O2.ClH/c1-17(2,9-20)10-23(3)15(24)13-8-21-22-14(13)11-5-4-6-12(7-11)25-16(18)19;/h4-8,16H,9-10,20H2,1-3H3,(H,21,22);1H
InChIKeyWKDANMQPFJLJAN-UHFFFAOYSA-N
MW388.85 g/mol
LogP3.16
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 119657135) has the molecular formula C17H23ClF2N4O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID119657135
Molecular FormulaC17H23ClF2N4O2
Molecular Weight388.85 g/mol
Exact Mass388.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1.Cl
InChIInChI=1S/C17H22F2N4O2.ClH/c1-17(2,9-20)10-23(3)15(24)13-8-21-22-14(13)11-5-4-6-12(7-11)25-16(18)19;/h4-8,16H,9-10,20H2,1-3H3,(H,21,22);1H
InChIKeyWKDANMQPFJLJAN-UHFFFAOYSA-N
XLogP3.16
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 119653124
N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733
N-(3-amino-2,2-dimethylpropyl)-5-(4-fluorophenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 119656770
N-(2-amino-2-methylpropyl)-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 119630747
N-[2-(aminomethyl)cyclopentyl]-5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 119605326
N-(3-amino-2,2-dimethylpropyl)-2-(difluoromethoxy)-4-fluoro-N-methylbenzamide;hydrochloride
CID 119653488
5-[3-(difluoromethoxy)phenyl]-N-(1-hydroxypentan-3-yl)-1H-pyrazole-4-carboxamide
CID 109479137
[3-(aminomethyl)pyrrolidin-1-yl]-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119487330
1,4-diazepan-1-yl-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]methanone
CID 119418809
4-[5-[3-(difluoromethoxy)phenyl]-1H-pyrazole-4-carbonyl]piperazin-2-one
CID 126766706
N-(3-amino-2,2-dimethylpropyl)-1-[4-(difluoromethoxy)phenyl]-N,5-dimethyltriazole-4-carboxamide;hydrochloride
CID 119655867
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride (CID 119657135) is N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1cn[nH]c1-c1cccc(OC(F)F)c1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is WKDANMQPFJLJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O2.ClH/c1-17(2,9-20)10-23(3)15(24)13-8-21-22-14(13)11-5-4-6-12(7-11)25-16(18)19;/h4-8,16H,9-10,20H2,1-3H3,(H,21,22);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 388.85 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-[3-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119657135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).