4-amino-1-butan-2-ylpyrazole-3-carboxamide

C8H14N4O — CID 107345234

IUPAC4-amino-1-butan-2-ylpyrazole-3-carboxamide
SMILESCCC(C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C8H14N4O/c1-3-5(2)12-4-6(9)7(11-12)8(10)13/h4-5H,3,9H2,1-2H3,(H2,10,13)
InChIKeyMDPSEJMFHRKSOG-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.54
Rot. Bonds3

About 4-amino-1-butan-2-ylpyrazole-3-carboxamide

4-amino-1-butan-2-ylpyrazole-3-carboxamide (PubChem CID 107345234) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-1-butan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-butan-2-ylpyrazole-3-carboxamide
PubChem CID107345234
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-1-butan-2-ylpyrazole-3-carboxamide
SMILESCCC(C)n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C8H14N4O/c1-3-5(2)12-4-6(9)7(11-12)8(10)13/h4-5H,3,9H2,1-2H3,(H2,10,13)
InChIKeyMDPSEJMFHRKSOG-UHFFFAOYSA-N
XLogP0.54
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1-(3-methylpentan-2-yl)pyrazole-3-carboxamide
CID 165471957
4-amino-1-(1-methoxypropan-2-yl)pyrazole-3-carboxamide
CID 107345192
4-amino-1-[1-(dimethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 107345394
4-amino-1-[1-oxo-1-(propan-2-ylamino)propan-2-yl]pyrazole-3-carboxamide
CID 107345162
1-(1-butan-2-yl-4-hydroxypyrazol-3-yl)ethanone
CID 165464771
4-amino-1-(1-amino-1-oxobutan-2-yl)pyrazole-3-carboxylic acid
CID 107344037
ethyl 4-amino-1-pentan-2-ylpyrazole-3-carboxylate
CID 107891686
4-amino-1-(1-oxo-1-piperidin-1-ylpropan-2-yl)pyrazole-3-carboxamide
CID 107345214
4-amino-1-ethylsulfinylpyrazole-3-carboxamide
CID 131223531
4-amino-1-(2-methylpropoxymethyl)pyrazole-3-carboxamide
CID 165472129
4-amino-1-[1-(ethylamino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 107344274
4-amino-1-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 107345120

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-butan-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-butan-2-ylpyrazole-3-carboxamide (CID 107345234) is 4-amino-1-butan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-butan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-butan-2-ylpyrazole-3-carboxamide is CCC(C)n1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-butan-2-ylpyrazole-3-carboxamide?
The InChIKey is MDPSEJMFHRKSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-5(2)12-4-6(9)7(11-12)8(10)13/h4-5H,3,9H2,1-2H3,(H2,10,13).
What are the key properties of 4-amino-1-butan-2-ylpyrazole-3-carboxamide?
4-amino-1-butan-2-ylpyrazole-3-carboxamide has a molecular weight of 182.23 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-butan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 107345234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).