2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile

C14H10N6 — CID 135922390

IUPAC2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(-c2[nH]ncc2/C=C/c2cccnc2)[nH]1
InChIInChI=1S/C14H10N6/c15-6-12-9-17-14(19-12)13-11(8-18-20-13)4-3-10-2-1-5-16-7-10/h1-5,7-9H,(H,17,19)(H,18,20)/b4-3+
InChIKeyQJUNJGLRELVJKL-ONEGZZNKSA-N
MW262.28 g/mol
LogP2.24
Rot. Bonds3

About 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile

2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile (PubChem CID 135922390) has the molecular formula C14H10N6 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile
PubChem CID135922390
Molecular FormulaC14H10N6
Molecular Weight262.28 g/mol
Exact Mass262.10
IUPAC Name2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile
SMILESN#Cc1cnc(-c2[nH]ncc2/C=C/c2cccnc2)[nH]1
InChIInChI=1S/C14H10N6/c15-6-12-9-17-14(19-12)13-11(8-18-20-13)4-3-10-2-1-5-16-7-10/h1-5,7-9H,(H,17,19)(H,18,20)/b4-3+
InChIKeyQJUNJGLRELVJKL-ONEGZZNKSA-N
XLogP2.24
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile?
The IUPAC name of 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile (CID 135922390) is 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile.
What is the SMILES notation for 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile?
The canonical SMILES for 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile is N#Cc1cnc(-c2[nH]ncc2/C=C/c2cccnc2)[nH]1.
What is the InChIKey of 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile?
The InChIKey is QJUNJGLRELVJKL-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H10N6/c15-6-12-9-17-14(19-12)13-11(8-18-20-13)4-3-10-2-1-5-16-7-10/h1-5,7-9H,(H,17,19)(H,18,20)/b4-3+.
What are the key properties of 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile?
2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile has a molecular weight of 262.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-pyridin-3-ylethenyl]-1H-pyrazol-5-yl]-1H-imidazole-5-carbonitrile is sourced from PubChem (CID 135922390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).