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

C13H25ClN4O — CID 119652672

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)N(C)CC(C)(C)CN)n[nH]1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-9(2)10-6-11(16-15-10)12(18)17(5)8-13(3,4)7-14;/h6,9H,7-8,14H2,1-5H3,(H,15,16);1H
InChIKeyHRLCGKRDIBGCPE-UHFFFAOYSA-N
MW288.82 g/mol
LogP2.01
Rot. Bonds5

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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 119652672) has the molecular formula C13H25ClN4O and a molecular weight of 288.82 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
PubChem CID119652672
Molecular FormulaC13H25ClN4O
Molecular Weight288.82 g/mol
Exact Mass288.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
SMILESCC(C)c1cc(C(=O)N(C)CC(C)(C)CN)n[nH]1.Cl
InChIInChI=1S/C13H24N4O.ClH/c1-9(2)10-6-11(16-15-10)12(18)17(5)8-13(3,4)7-14;/h6,9H,7-8,14H2,1-5H3,(H,15,16);1H
InChIKeyHRLCGKRDIBGCPE-UHFFFAOYSA-N
XLogP2.01
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439
3-[methyl-(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 110835367
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119652440
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119655240
N-(3-amino-2,2-dimethylpropyl)-N-methylthiadiazole-5-carboxamide
CID 79652392
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-methyl-1H-pyrrole-2-carboxamide;hydrochloride
CID 119652529
N-methyl-5-propan-2-yl-N-(pyridin-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 47245198
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 122169759
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethyl-1H-pyrazole-4-carboxamide
CID 79651912
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-pyrazol-1-ylpyridine-2-carboxamide;dihydrochloride
CID 119652843
N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79651931

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride (CID 119652672) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is CC(C)c1cc(C(=O)N(C)CC(C)(C)CN)n[nH]1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is HRLCGKRDIBGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O.ClH/c1-9(2)10-6-11(16-15-10)12(18)17(5)8-13(3,4)7-14;/h6,9H,7-8,14H2,1-5H3,(H,15,16);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 288.82 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119652672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).