3-(1H-pyrazol-5-yl)chromen-4-one

C12H8N2O2 — CID 67691451

IUPAC3-(1H-pyrazol-5-yl)chromen-4-one
SMILESO=c1c(-c2ccn[nH]2)coc2ccccc12
InChIInChI=1S/C12H8N2O2/c15-12-8-3-1-2-4-11(8)16-7-9(12)10-5-6-13-14-10/h1-7H,(H,13,14)
InChIKeyFUNPBLQKHCSDGQ-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.18
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)chromen-4-one

3-(1H-pyrazol-5-yl)chromen-4-one (PubChem CID 67691451) has the molecular formula C12H8N2O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)chromen-4-one.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)chromen-4-one
PubChem CID67691451
Molecular FormulaC12H8N2O2
Molecular Weight212.21 g/mol
Exact Mass212.06
IUPAC Name3-(1H-pyrazol-5-yl)chromen-4-one
SMILESO=c1c(-c2ccn[nH]2)coc2ccccc12
InChIInChI=1S/C12H8N2O2/c15-12-8-3-1-2-4-11(8)16-7-9(12)10-5-6-13-14-10/h1-7H,(H,13,14)
InChIKeyFUNPBLQKHCSDGQ-UHFFFAOYSA-N
XLogP2.18
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 737224
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3312872
{1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(2-methoxyphenyl)methanone
CID 16191461
3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 6483841
2-methoxy-N-[4-(1H-pyrazol-3-yl)phenyl]benzamide
CID 38779449
Pyrazolyl coumarin
CID 2815803
(4-Methoxyphenyl)(1H-pyrazol-5-yl)methanone
CID 296610
2-Trifluoromethyl-3-pyrazolylchromone
CID 129781914
(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone
CID 135056760
5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole
CID 2742187
3-Salicyloylpyrazole
CID 14808892
2-Pyrazolylchromone
CID 54055601

Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)chromen-4-one?
The IUPAC name of 3-(1H-pyrazol-5-yl)chromen-4-one (CID 67691451) is 3-(1H-pyrazol-5-yl)chromen-4-one.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)chromen-4-one?
The canonical SMILES for 3-(1H-pyrazol-5-yl)chromen-4-one is O=c1c(-c2ccn[nH]2)coc2ccccc12.
What is the InChIKey of 3-(1H-pyrazol-5-yl)chromen-4-one?
The InChIKey is FUNPBLQKHCSDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2/c15-12-8-3-1-2-4-11(8)16-7-9(12)10-5-6-13-14-10/h1-7H,(H,13,14).
What are the key properties of 3-(1H-pyrazol-5-yl)chromen-4-one?
3-(1H-pyrazol-5-yl)chromen-4-one has a molecular weight of 212.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)chromen-4-one is sourced from PubChem (CID 67691451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).