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

C8H14N4O — CID 79006459

IUPAC5-amino-1-butan-2-ylpyrazole-4-carboxamide
SMILESCCC(C)n1ncc(C(N)=O)c1N
InChIInChI=1S/C8H14N4O/c1-3-5(2)12-7(9)6(4-11-12)8(10)13/h4-5H,3,9H2,1-2H3,(H2,10,13)
InChIKeyOCMIPRQJLGPVNO-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.54
Rot. Bonds3

About 5-amino-1-butan-2-ylpyrazole-4-carboxamide

5-amino-1-butan-2-ylpyrazole-4-carboxamide (PubChem CID 79006459) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 5-amino-1-butan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-butan-2-ylpyrazole-4-carboxamide
PubChem CID79006459
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name5-amino-1-butan-2-ylpyrazole-4-carboxamide
SMILESCCC(C)n1ncc(C(N)=O)c1N
InChIInChI=1S/C8H14N4O/c1-3-5(2)12-7(9)6(4-11-12)8(10)13/h4-5H,3,9H2,1-2H3,(H2,10,13)
InChIKeyOCMIPRQJLGPVNO-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

5-amino-1-(propan-2-yl)-1H-pyrazole-4-carboxamide
CID 1263609
1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
7-Methyl-7H-pyrazolo(3,4-d)(1,2,3)triazin-4-ol
CID 135495349
5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
CID 223690
5-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 265696
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
3-Methyl-4-oxopyrazolo[5,1-d][1,2,3,5]tetrazine-8-carboxamide
CID 13282219
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
3-amino-1-methyl-1H-pyrazole-4-carboxamide
CID 17118319

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-butan-2-ylpyrazole-4-carboxamide (CID 79006459) is 5-amino-1-butan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-butan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-butan-2-ylpyrazole-4-carboxamide is CCC(C)n1ncc(C(N)=O)c1N.
What is the InChIKey of 5-amino-1-butan-2-ylpyrazole-4-carboxamide?
The InChIKey is OCMIPRQJLGPVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-5(2)12-7(9)6(4-11-12)8(10)13/h4-5H,3,9H2,1-2H3,(H2,10,13).
What are the key properties of 5-amino-1-butan-2-ylpyrazole-4-carboxamide?
5-amino-1-butan-2-ylpyrazole-4-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 5-amino-1-butan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 79006459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).