N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

C14H21ClN4OS — CID 119652439

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2cccs2)[nH]n1.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-14(2,8-15)9-18(3)13(19)11-7-10(16-17-11)12-5-4-6-20-12;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyGZCWUWJTBMZEAP-UHFFFAOYSA-N
MW328.87 g/mol
LogP2.62
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119652439) has the molecular formula C14H21ClN4OS and a molecular weight of 328.87 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119652439
Molecular FormulaC14H21ClN4OS
Molecular Weight328.87 g/mol
Exact Mass328.11
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1cc(-c2cccs2)[nH]n1.Cl
InChIInChI=1S/C14H20N4OS.ClH/c1-14(2,8-15)9-18(3)13(19)11-7-10(16-17-11)12-5-4-6-20-12;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H
InChIKeyGZCWUWJTBMZEAP-UHFFFAOYSA-N
XLogP2.62
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.87
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119652440
N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55739896
N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55739694
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652672
N-(1-amino-2,3-dimethylbutan-2-yl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119605510
N-(1-hydroxypropan-2-yl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 109388243
N-(2-phenylpropyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738648
N-(3-aminobutyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119494825
N-(3-amino-2,2-dimethylpropyl)-2-(5-bromothiophen-2-yl)-N-methyl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119655809
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1-propan-2-yl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119652546
N-[2-(methylamino)ethyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119499933

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119652439) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1cc(-c2cccs2)[nH]n1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is GZCWUWJTBMZEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS.ClH/c1-14(2,8-15)9-18(3)13(19)11-7-10(16-17-11)12-5-4-6-20-12;/h4-7H,8-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 328.87 g/mol, XLogP of 2.62, 5 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)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119652439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).