N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide

C12H22N4O2 — CID 114255127

IUPACN-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N(C)CC(C)(C)CN)nn1C
InChIInChI=1S/C12H22N4O2/c1-12(2,7-13)8-15(3)11(17)9-6-10(18-5)16(4)14-9/h6H,7-8,13H2,1-5H3
InChIKeyOETTVPNLLAGIGY-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.49
Rot. Bonds5

About N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide

N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 114255127) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide
PubChem CID114255127
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide
SMILESCOc1cc(C(=O)N(C)CC(C)(C)CN)nn1C
InChIInChI=1S/C12H22N4O2/c1-12(2,7-13)8-15(3)11(17)9-6-10(18-5)16(4)14-9/h6H,7-8,13H2,1-5H3
InChIKeyOETTVPNLLAGIGY-UHFFFAOYSA-N
XLogP0.49
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-(methoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 79651931
N-(3-amino-2,2-dimethylpropyl)-3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 119656119
N-(3-amino-2-methylpropyl)-N-ethyl-5-methoxy-1-methylpyrazole-3-carboxamide
CID 114254970
N-(3-amino-2,2-dimethylpropyl)-5-(furan-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119656586
N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119655530
N-(3-amino-2,2-dimethylpropyl)-4,5-dichloro-2-methoxy-N-methylbenzamide
CID 119655324
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-propan-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652672
N-(3-amino-2,2-dimethylpropyl)-4-bromo-N,1-dimethylpyrrole-2-carboxamide
CID 79652794
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 119656984
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide (CID 114255127) is N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide is COc1cc(C(=O)N(C)CC(C)(C)CN)nn1C.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is OETTVPNLLAGIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-12(2,7-13)8-15(3)11(17)9-6-10(18-5)16(4)14-9/h6H,7-8,13H2,1-5H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-5-methoxy-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 114255127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).