3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile

C14H10N6 — CID 63338608

IUPAC3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1-n1cc(-c2ccccc2N)cn1
InChIInChI=1S/C14H10N6/c15-7-13-14(18-6-5-17-13)20-9-10(8-19-20)11-3-1-2-4-12(11)16/h1-6,8-9H,16H2
InChIKeyMMIYEYUIUBFCBB-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.78
Rot. Bonds2

About 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile

3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile (PubChem CID 63338608) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile
PubChem CID63338608
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1-n1cc(-c2ccccc2N)cn1
InChIInChI=1S/C14H10N6/c15-7-13-14(18-6-5-17-13)20-9-10(8-19-20)11-3-1-2-4-12(11)16/h1-6,8-9H,16H2
InChIKeyMMIYEYUIUBFCBB-UHFFFAOYSA-N
XLogP1.78
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile (CID 63338608) is 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile is N#Cc1nccnc1-n1cc(-c2ccccc2N)cn1.
What is the InChIKey of 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile?
The InChIKey is MMIYEYUIUBFCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6/c15-7-13-14(18-6-5-17-13)20-9-10(8-19-20)11-3-1-2-4-12(11)16/h1-6,8-9H,16H2.
What are the key properties of 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile?
3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile has a molecular weight of 262.28 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminophenyl)pyrazol-1-yl]pyrazine-2-carbonitrile is sourced from PubChem (CID 63338608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).