2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine

C14H14F2N6 — CID 177019112

IUPAC2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine
SMILESCc1cnc(Cc2cc(C(F)F)nn2-c2ccnn2C)nc1
InChIInChI=1S/C14H14F2N6/c1-9-7-17-12(18-8-9)6-10-5-11(14(15)16)20-22(10)13-3-4-19-21(13)2/h3-5,7-8,14H,6H2,1-2H3
InChIKeyMAHPAXURZSGXQK-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.23
Rot. Bonds4

About 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine

2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine (PubChem CID 177019112) has the molecular formula C14H14F2N6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine.

Molecular Properties

Compound Name2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine
PubChem CID177019112
Molecular FormulaC14H14F2N6
Molecular Weight304.30 g/mol
Exact Mass304.12
IUPAC Name2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine
SMILESCc1cnc(Cc2cc(C(F)F)nn2-c2ccnn2C)nc1
InChIInChI=1S/C14H14F2N6/c1-9-7-17-12(18-8-9)6-10-5-11(14(15)16)20-22(10)13-3-4-19-21(13)2/h3-5,7-8,14H,6H2,1-2H3
InChIKeyMAHPAXURZSGXQK-UHFFFAOYSA-N
XLogP2.23
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)propan-1-ol
CID 103008459
5-tert-butyl-3-(2-methylpropyl)-1-(2-methylpyrazol-3-yl)-1,2,4-triazole
CID 138383814
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 19532217
(1R)-1-[2-[5-[[3-(2,2-difluoroethyl)-1-methylpyrazol-5-yl]methyl]-3-(difluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol
CID 164718834
N-methyl-2-[1-(2-methylpyrazol-3-yl)-5-(1-methylpyrrolo[2,3-b]pyridin-6-yl)-1,2,4-triazol-3-yl]acetamide
CID 156585119
5-methyl-3-[(2-methylpyrazol-3-yl)methyl]-1,2,4-oxadiazole
CID 131114204
3-(2-methylpyrazol-3-yl)-1-(5-methylpyrimidin-2-yl)-N-propylpropan-1-amine
CID 103011989
2-(3,5-dimethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 63960987
3-(difluoromethyl)-5-[(1-ethylpyrazol-4-yl)methyl]-1-[4-fluoro-2-[(1R)-1-phenylmethoxyethyl]phenyl]pyrazole
CID 164719603
3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide
CID 55127335
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
6-(difluoromethyl)-3-[[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944070

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine?
The IUPAC name of 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine (CID 177019112) is 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine.
What is the SMILES notation for 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine?
The canonical SMILES for 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine is Cc1cnc(Cc2cc(C(F)F)nn2-c2ccnn2C)nc1.
What is the InChIKey of 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine?
The InChIKey is MAHPAXURZSGXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6/c1-9-7-17-12(18-8-9)6-10-5-11(14(15)16)20-22(10)13-3-4-19-21(13)2/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine?
2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine has a molecular weight of 304.30 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(difluoromethyl)-1-(2-methylpyrazol-3-yl)pyrazol-5-yl]methyl]-5-methylpyrimidine is sourced from PubChem (CID 177019112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).