1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine

C16H12ClF2N5O — CID 150000660

IUPAC1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N1CC=C2N=CC=CN21
InChIInChI=1S/C16H12ClF2N5O/c17-10-2-3-13(25-16(18)19)11(8-10)15-12(9-21-22-15)23-7-4-14-20-5-1-6-24(14)23/h1-6,8-9,16H,7H2,(H,21,22)
InChIKeyDBFGTARARSSHPV-UHFFFAOYSA-N
MW363.76 g/mol
LogP3.81
Rot. Bonds4

About 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine

1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine (PubChem CID 150000660) has the molecular formula C16H12ClF2N5O and a molecular weight of 363.76 g/mol. Its IUPAC name is 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
PubChem CID150000660
Molecular FormulaC16H12ClF2N5O
Molecular Weight363.76 g/mol
Exact Mass363.07
IUPAC Name1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine
SMILESFC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N1CC=C2N=CC=CN21
InChIInChI=1S/C16H12ClF2N5O/c17-10-2-3-13(25-16(18)19)11(8-10)15-12(9-21-22-15)23-7-4-14-20-5-1-6-24(14)23/h1-6,8-9,16H,7H2,(H,21,22)
InChIKeyDBFGTARARSSHPV-UHFFFAOYSA-N
XLogP3.81
TPSA56.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.76
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine 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

5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 118522324
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitroso-1H-pyrazole
CID 118531698
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methylpyrazol-4-yl]formamide
CID 88849903
N-[3-(5-chloro-2-methoxyphenyl)-1-[(E)-3,3,3-trifluoroprop-1-enyl]pyrazol-4-yl]formamide
CID 88849908
1-(3-Aminocyclobutyl)-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-4-amine
CID 118522326
3-[5-Chloro-2-(difluoromethoxy)phenyl]-1-piperidin-4-ylpyrazol-4-amine
CID 118522788
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 118522791
2-[4-Amino-3-[5-chloro-2-(difluoromethoxy)phenyl]pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 118523132
5-(5-chloro-2-difluoromethoxyphenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazol-4-ylamine
CID 123143092
5-[5-chloro-2-(difluoromethoxy)phenyl]-4-nitro-1H-pyrazole
CID 130358991
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-(oxan-4-yl)pyrazol-4-yl]-1,2-dihydropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 139421460
4-(difluoromethoxy)-3-[4-(2H-pyrazolo[1,5-a]pyrimidin-1-yl)-1H-pyrazol-5-yl]benzonitrile
CID 141405344

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine (CID 150000660) is 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine is FC(F)Oc1ccc(Cl)cc1-c1[nH]ncc1N1CC=C2N=CC=CN21.
What is the InChIKey of 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
The InChIKey is DBFGTARARSSHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N5O/c17-10-2-3-13(25-16(18)19)11(8-10)15-12(9-21-22-15)23-7-4-14-20-5-1-6-24(14)23/h1-6,8-9,16H,7H2,(H,21,22).
What are the key properties of 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine?
1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine has a molecular weight of 363.76 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-chloro-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-yl]-2H-pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 150000660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).