3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide

C6H10N4O2 — CID 14198977

IUPAC3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide
SMILESCCc1c(N)n(C(N)=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-2-3-4(7)10(6(8)12)9-5(3)11/h2,7H2,1H3,(H2,8,12)(H,9,11)
InChIKeyJDPCRHOFDOHBQO-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.75
Rot. Bonds1

About 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide

3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide (PubChem CID 14198977) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide
PubChem CID14198977
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide
SMILESCCc1c(N)n(C(N)=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2/c1-2-3-4(7)10(6(8)12)9-5(3)11/h2,7H2,1H3,(H2,8,12)(H,9,11)
InChIKeyJDPCRHOFDOHBQO-UHFFFAOYSA-N
XLogP-0.75
TPSA106.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide?
The IUPAC name of 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide (CID 14198977) is 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide.
What is the SMILES notation for 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide?
The canonical SMILES for 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide is CCc1c(N)n(C(N)=O)[nH]c1=O.
What is the InChIKey of 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide?
The InChIKey is JDPCRHOFDOHBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c1-2-3-4(7)10(6(8)12)9-5(3)11/h2,7H2,1H3,(H2,8,12)(H,9,11).
What are the key properties of 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide?
3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide has a molecular weight of 170.17 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-ethyl-5-oxo-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 14198977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).