5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole

C12H12F2N2O — CID 142088621

IUPAC5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
SMILESCOc1cccc(-c2cc(C(C)(F)F)[nH]n2)c1
InChIInChI=1S/C12H12F2N2O/c1-12(13,14)11-7-10(15-16-11)8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyLPGQDDWLLXCSRS-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.20
Rot. Bonds3

About 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole

5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole (PubChem CID 142088621) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
PubChem CID142088621
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC Name5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole
SMILESCOc1cccc(-c2cc(C(C)(F)F)[nH]n2)c1
InChIInChI=1S/C12H12F2N2O/c1-12(13,14)11-7-10(15-16-11)8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,15,16)
InChIKeyLPGQDDWLLXCSRS-UHFFFAOYSA-N
XLogP3.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-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

2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]propan-2-amine
CID 83850457
5-(furan-2-yl)-3-(3-methoxyphenyl)-1H-pyrazole
CID 73052635
(1S)-1-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 82393432
5-(bromomethyl)-3-(3-methoxyphenyl)-1H-pyridazin-6-one
CID 82445918
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 2782546
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
CID 175169762
4-(3-methoxyphenyl)-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136802817
5-(1,1-difluoroethyl)-4-(3-methoxyphenyl)-1,2-oxazol-3-amine
CID 114249586
5-(3-methoxyphenyl)-3-[3-[5-(3-methoxyphenyl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 118529464
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole?
The IUPAC name of 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole (CID 142088621) is 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole.
What is the SMILES notation for 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole?
The canonical SMILES for 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole is COc1cccc(-c2cc(C(C)(F)F)[nH]n2)c1.
What is the InChIKey of 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole?
The InChIKey is LPGQDDWLLXCSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-12(13,14)11-7-10(15-16-11)8-4-3-5-9(6-8)17-2/h3-7H,1-2H3,(H,15,16).
What are the key properties of 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole?
5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole has a molecular weight of 238.24 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-3-(3-methoxyphenyl)-1H-pyrazole is sourced from PubChem (CID 142088621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).