1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide

C9H8N4O — CID 121215034

IUPAC1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide
SMILESC#CCn1ccn2nc(C(N)=O)cc12
InChIInChI=1S/C9H8N4O/c1-2-3-12-4-5-13-8(12)6-7(11-13)9(10)14/h1,4-6H,3H2,(H2,10,14)
InChIKeyRLIUGKRQCDJQLD-UHFFFAOYSA-N
MW188.19 g/mol
LogP-0.13
Rot. Bonds2

About 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide

1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide (PubChem CID 121215034) has the molecular formula C9H8N4O and a molecular weight of 188.19 g/mol. Its IUPAC name is 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide.

Molecular Properties

Compound Name1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide
PubChem CID121215034
Molecular FormulaC9H8N4O
Molecular Weight188.19 g/mol
Exact Mass188.07
IUPAC Name1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide
SMILESC#CCn1ccn2nc(C(N)=O)cc12
InChIInChI=1S/C9H8N4O/c1-2-3-12-4-5-13-8(12)6-7(11-13)9(10)14/h1,4-6H,3H2,(H2,10,14)
InChIKeyRLIUGKRQCDJQLD-UHFFFAOYSA-N
XLogP-0.13
TPSA65.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide?
The IUPAC name of 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide (CID 121215034) is 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide.
What is the SMILES notation for 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide?
The canonical SMILES for 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide is C#CCn1ccn2nc(C(N)=O)cc12.
What is the InChIKey of 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide?
The InChIKey is RLIUGKRQCDJQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O/c1-2-3-12-4-5-13-8(12)6-7(11-13)9(10)14/h1,4-6H,3H2,(H2,10,14).
What are the key properties of 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide?
1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide has a molecular weight of 188.19 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynylimidazo[2,1-e]pyrazole-6-carboxamide is sourced from PubChem (CID 121215034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).