4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole

C16H14N4O — CID 59435415

IUPAC4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole
SMILESC(=C1\CCOc2ccc(-c3cn[nH]c3)cc21)\c1cnc[nH]1
InChIInChI=1S/C16H14N4O/c1-2-16-15(6-11(1)13-7-19-20-8-13)12(3-4-21-16)5-14-9-17-10-18-14/h1-2,5-10H,3-4H2,(H,17,18)(H,19,20)/b12-5+
InChIKeyNGSAOBCJOTVWNF-LFYBBSHMSA-N
MW278.31 g/mol
LogP3.12
Rot. Bonds2

About 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole

4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole (PubChem CID 59435415) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole
PubChem CID59435415
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole
SMILESC(=C1\CCOc2ccc(-c3cn[nH]c3)cc21)\c1cnc[nH]1
InChIInChI=1S/C16H14N4O/c1-2-16-15(6-11(1)13-7-19-20-8-13)12(3-4-21-16)5-14-9-17-10-18-14/h1-2,5-10H,3-4H2,(H,17,18)(H,19,20)/b12-5+
InChIKeyNGSAOBCJOTVWNF-LFYBBSHMSA-N
XLogP3.12
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole?
The IUPAC name of 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole (CID 59435415) is 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole.
What is the SMILES notation for 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole?
The canonical SMILES for 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole is C(=C1\CCOc2ccc(-c3cn[nH]c3)cc21)\c1cnc[nH]1.
What is the InChIKey of 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole?
The InChIKey is NGSAOBCJOTVWNF-LFYBBSHMSA-N. The full InChI is InChI=1S/C16H14N4O/c1-2-16-15(6-11(1)13-7-19-20-8-13)12(3-4-21-16)5-14-9-17-10-18-14/h1-2,5-10H,3-4H2,(H,17,18)(H,19,20)/b12-5+.
What are the key properties of 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole?
4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole has a molecular weight of 278.31 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E)-4-(1H-imidazol-5-ylmethylidene)-2,3-dihydrochromen-6-yl]-1H-pyrazole is sourced from PubChem (CID 59435415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).