ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide

C12H25N3O — CID 144607430

IUPACethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC.CC.Cc1cn(C(C)C)nc1C(N)=O
InChIInChI=1S/C8H13N3O.2C2H6/c1-5(2)11-4-6(3)7(10-11)8(9)12;2*1-2/h4-5H,1-3H3,(H2,9,12);2*1-2H3
InChIKeyZKXLBWOLJAXXPW-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.92
Rot. Bonds2

About ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide

ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 144607430) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Nameethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID144607430
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Nameethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC.CC.Cc1cn(C(C)C)nc1C(N)=O
InChIInChI=1S/C8H13N3O.2C2H6/c1-5(2)11-4-6(3)7(10-11)8(9)12;2*1-2/h4-5H,1-3H3,(H2,9,12);2*1-2H3
InChIKeyZKXLBWOLJAXXPW-UHFFFAOYSA-N
XLogP2.92
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-1-propan-2-ylpyrazole;ethane
CID 144607335
2-propan-2-ylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 142768222
4-chloro-1-propan-2-ylpyrazole-3-carboxylic acid
CID 19619889
4-amino-1-butan-2-ylpyrazole-3-carboxamide
CID 107345234
3-bromo-4-methyl-1-propan-2-ylpyrazole
CID 130138856
3-acetyl-1-propan-2-ylpyrazole-4-carboxylic acid
CID 82399774
1-propan-2-yl-1,2,4-triazole-3-carboxamide
CID 20680311
N-(4-methyl-1-propan-2-ylpyrazol-3-yl)prop-2-enamide
CID 166419383
4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 107345394
2-propan-2-ylindazole-7-carboxamide
CID 118166353
4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
CID 165471957
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 144607430) is ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide is CC.CC.Cc1cn(C(C)C)nc1C(N)=O.
What is the InChIKey of ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ZKXLBWOLJAXXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O.2C2H6/c1-5(2)11-4-6(3)7(10-11)8(9)12;2*1-2/h4-5H,1-3H3,(H2,9,12);2*1-2H3.
What are the key properties of ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide?
ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 227.35 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 144607430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).