ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide

C8H16N4O — CID 145188633

IUPACethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide
SMILESCC.CNc1cn(C)nc1C(N)=O
InChIInChI=1S/C6H10N4O.C2H6/c1-8-4-3-10(2)9-5(4)6(7)11;1-2/h3,8H,1-2H3,(H2,7,11);1-2H3
InChIKeyCNFDYVHHUPYDOH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.59
Rot. Bonds2

About ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide

ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide (PubChem CID 145188633) has the molecular formula C8H16N4O and a molecular weight of 184.24 g/mol. Its IUPAC name is ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Nameethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide
PubChem CID145188633
Molecular FormulaC8H16N4O
Molecular Weight184.24 g/mol
Exact Mass184.13
IUPAC Nameethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide
SMILESCC.CNc1cn(C)nc1C(N)=O
InChIInChI=1S/C6H10N4O.C2H6/c1-8-4-3-10(2)9-5(4)6(7)11;1-2/h3,8H,1-2H3,(H2,7,11);1-2H3
InChIKeyCNFDYVHHUPYDOH-UHFFFAOYSA-N
XLogP0.59
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
CID 1220992
1-methyl-1H,6H,7H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135449549
N-cycloheptyl-4-nitro-1-methyl-1H-pyrazole-3-carboxamide
CID 903179
4-amino-1-methyl-1H-pyrazole-3-carboxamide
CID 6485351
4-amino-1-methyl-1H-pyrazole-5-carboxamide
CID 6485342
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
4-(3-butylureido)-1-ethyl-1H-pyrazole-5-carboxamide
CID 661464
2,5-Dimethyl-6-hydropyrazolo[4,3-d]pyrimidin-7-one
CID 135768543

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide?
The IUPAC name of ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide (CID 145188633) is ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide.
What is the SMILES notation for ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide?
The canonical SMILES for ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide is CC.CNc1cn(C)nc1C(N)=O.
What is the InChIKey of ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide?
The InChIKey is CNFDYVHHUPYDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.C2H6/c1-8-4-3-10(2)9-5(4)6(7)11;1-2/h3,8H,1-2H3,(H2,7,11);1-2H3.
What are the key properties of ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide?
ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide has a molecular weight of 184.24 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(methylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 145188633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).