1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide

C16H11ClN4O — CID 134795389

IUPAC1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESC#CCNC(=O)c1nc(-c2ccc(Cl)cc2)c2cnccn12
InChIInChI=1S/C16H11ClN4O/c1-2-7-19-16(22)15-20-14(11-3-5-12(17)6-4-11)13-10-18-8-9-21(13)15/h1,3-6,8-10H,7H2,(H,19,22)
InChIKeyDNYUUIYXUXTWCD-UHFFFAOYSA-N
MW310.74 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide

1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 134795389) has the molecular formula C16H11ClN4O and a molecular weight of 310.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID134795389
Molecular FormulaC16H11ClN4O
Molecular Weight310.74 g/mol
Exact Mass310.06
IUPAC Name1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide
SMILESC#CCNC(=O)c1nc(-c2ccc(Cl)cc2)c2cnccn12
InChIInChI=1S/C16H11ClN4O/c1-2-7-19-16(22)15-20-14(11-3-5-12(17)6-4-11)13-10-18-8-9-21(13)15/h1,3-6,8-10H,7H2,(H,19,22)
InChIKeyDNYUUIYXUXTWCD-UHFFFAOYSA-N
XLogP2.41
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 52.41
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-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide (CID 134795389) is 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide is C#CCNC(=O)c1nc(-c2ccc(Cl)cc2)c2cnccn12.
What is the InChIKey of 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is DNYUUIYXUXTWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4O/c1-2-7-19-16(22)15-20-14(11-3-5-12(17)6-4-11)13-10-18-8-9-21(13)15/h1,3-6,8-10H,7H2,(H,19,22).
What are the key properties of 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide?
1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-prop-2-ynylimidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 134795389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).