2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine

C11H10Cl2F2N4 — CID 62891907

IUPAC2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-n2nc(C(F)F)c(CCl)c2Cl)n1
InChIInChI=1S/C11H10Cl2F2N4/c1-5-3-6(2)17-11(16-5)19-9(13)7(4-12)8(18-19)10(14)15/h3,10H,4H2,1-2H3
InChIKeyZNQVPWMQSTWTDO-UHFFFAOYSA-N
MW307.13 g/mol
LogP3.61
Rot. Bonds3

About 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine

2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine (PubChem CID 62891907) has the molecular formula C11H10Cl2F2N4 and a molecular weight of 307.13 g/mol. Its IUPAC name is 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine.

Molecular Properties

Compound Name2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
PubChem CID62891907
Molecular FormulaC11H10Cl2F2N4
Molecular Weight307.13 g/mol
Exact Mass306.03
IUPAC Name2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
SMILESCc1cc(C)nc(-n2nc(C(F)F)c(CCl)c2Cl)n1
InChIInChI=1S/C11H10Cl2F2N4/c1-5-3-6(2)17-11(16-5)19-9(13)7(4-12)8(18-19)10(14)15/h3,10H,4H2,1-2H3
InChIKeyZNQVPWMQSTWTDO-UHFFFAOYSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
The IUPAC name of 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine (CID 62891907) is 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine.
What is the SMILES notation for 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
The canonical SMILES for 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine is Cc1cc(C)nc(-n2nc(C(F)F)c(CCl)c2Cl)n1.
What is the InChIKey of 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
The InChIKey is ZNQVPWMQSTWTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2F2N4/c1-5-3-6(2)17-11(16-5)19-9(13)7(4-12)8(18-19)10(14)15/h3,10H,4H2,1-2H3.
What are the key properties of 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine?
2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine has a molecular weight of 307.13 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-4-(chloromethyl)-3-(difluoromethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine is sourced from PubChem (CID 62891907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).