N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C12H22N4O — CID 113283180

IUPACN-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H22N4O/c1-5-12(13,6-2)7-14-11(17)10-8(3)15-16-9(10)4/h5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyGLBUOMKNQAKDSK-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.27
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 113283180) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID113283180
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C12H22N4O/c1-5-12(13,6-2)7-14-11(17)10-8(3)15-16-9(10)4/h5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyGLBUOMKNQAKDSK-UHFFFAOYSA-N
XLogP1.27
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427297
3,5-dimethyl-N-(2-methyl-2-methylsulfanylpropyl)-1H-pyrazole-4-carboxamide
CID 115665363
3,5-dimethyl-N-propyl-1H-pyrazole-4-carboxamide
CID 43582292
N-(4-hydroxy-2,2-dimethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 103825509
3,5-dimethyl-N-(2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 62691865
3-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62675345
N-(2-amino-2-ethylbutyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 113265867
N-(2,2-diethoxyethyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 79547804
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1-propylpyrazole-4-carboxamide
CID 119643471
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 107854505
N-[3-[ethyl(methylsulfonyl)amino]propyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61013814
N-[2-(2-hydroxypropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 104593791

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 113283180) is N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is CCC(N)(CC)CNC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GLBUOMKNQAKDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-12(13,6-2)7-14-11(17)10-8(3)15-16-9(10)4/h5-7,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 113283180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).