3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide

C10H13N5O2 — CID 123369649

IUPAC3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide
SMILESN#CC1CCOCC1n1cc(C(N)=O)c(N)n1
InChIInChI=1S/C10H13N5O2/c11-3-6-1-2-17-5-8(6)15-4-7(10(13)16)9(12)14-15/h4,6,8H,1-2,5H2,(H2,12,14)(H2,13,16)
InChIKeyNRTJERGUUWPQBT-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.33
Rot. Bonds2

About 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide

3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide (PubChem CID 123369649) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide
PubChem CID123369649
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide
SMILESN#CC1CCOCC1n1cc(C(N)=O)c(N)n1
InChIInChI=1S/C10H13N5O2/c11-3-6-1-2-17-5-8(6)15-4-7(10(13)16)9(12)14-15/h4,6,8H,1-2,5H2,(H2,12,14)(H2,13,16)
InChIKeyNRTJERGUUWPQBT-UHFFFAOYSA-N
XLogP-0.33
TPSA119.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide (CID 123369649) is 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide is N#CC1CCOCC1n1cc(C(N)=O)c(N)n1.
What is the InChIKey of 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide?
The InChIKey is NRTJERGUUWPQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-3-6-1-2-17-5-8(6)15-4-7(10(13)16)9(12)14-15/h4,6,8H,1-2,5H2,(H2,12,14)(H2,13,16).
What are the key properties of 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide?
3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide has a molecular weight of 235.25 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-cyanooxan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 123369649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).