5-(2H-chromen-3-yl)-1H-pyrazole

C12H10N2O — CID 121007731

IUPAC5-(2H-chromen-3-yl)-1H-pyrazole
SMILESC1=C(c2ccn[nH]2)COc2ccccc21
InChIInChI=1S/C12H10N2O/c1-2-4-12-9(3-1)7-10(8-15-12)11-5-6-13-14-11/h1-7H,8H2,(H,13,14)
InChIKeyMUBNUSNSDJGSGE-UHFFFAOYSA-N
MW198.23 g/mol
LogP2.34
Rot. Bonds1

About 5-(2H-chromen-3-yl)-1H-pyrazole

5-(2H-chromen-3-yl)-1H-pyrazole (PubChem CID 121007731) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-(2H-chromen-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2H-chromen-3-yl)-1H-pyrazole
PubChem CID121007731
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name5-(2H-chromen-3-yl)-1H-pyrazole
SMILESC1=C(c2ccn[nH]2)COc2ccccc21
InChIInChI=1S/C12H10N2O/c1-2-4-12-9(3-1)7-10(8-15-12)11-5-6-13-14-11/h1-7H,8H2,(H,13,14)
InChIKeyMUBNUSNSDJGSGE-UHFFFAOYSA-N
XLogP2.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(2H-chromen-3-yl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

o-(1H-pyrazol-3-yl)phenol
CID 819511
5-(4-phenoxyphenyl)-1H-pyrazole
CID 2806138
3,5-dimethyl-4-[4-(4-methylphenoxy)butyl]-1H-pyrazole
CID 2057777
3-(4-(4-Fluorophenoxy)phenyl)-1H-pyrazole
CID 9816478
4-(4-methoxyphenyl)-3-methyl-1H-pyrazole
CID 2805464
5-[4-(4-methoxyphenoxy)phenyl]-1H-pyrazole
CID 2806185
4-Methoxy-1H-indazole
CID 24729333
3-(4-Methoxyphenyl)-1H-Pyrazole
CID 599984
3-(3-Methoxyphenyl)-1H-Pyrazole
CID 2736766
4-[4-(2-fluorophenoxy)butyl]-3,5-dimethyl-1H-pyrazole
CID 2055996
3,5-dimethyl-4-[3-(4-methylphenoxy)propyl]-1H-pyrazole
CID 2056430
CID 16187655
CID 16187655

Frequently Asked Questions

What is the IUPAC name of 5-(2H-chromen-3-yl)-1H-pyrazole?
The IUPAC name of 5-(2H-chromen-3-yl)-1H-pyrazole (CID 121007731) is 5-(2H-chromen-3-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2H-chromen-3-yl)-1H-pyrazole?
The canonical SMILES for 5-(2H-chromen-3-yl)-1H-pyrazole is C1=C(c2ccn[nH]2)COc2ccccc21.
What is the InChIKey of 5-(2H-chromen-3-yl)-1H-pyrazole?
The InChIKey is MUBNUSNSDJGSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-2-4-12-9(3-1)7-10(8-15-12)11-5-6-13-14-11/h1-7H,8H2,(H,13,14).
What are the key properties of 5-(2H-chromen-3-yl)-1H-pyrazole?
5-(2H-chromen-3-yl)-1H-pyrazole has a molecular weight of 198.23 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-chromen-3-yl)-1H-pyrazole is sourced from PubChem (CID 121007731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).