1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol

C12H13ClF2N4O — CID 166535069

IUPAC1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc(Cl)ncc2C(F)F)cn1
InChIInChI=1S/C12H13ClF2N4O/c1-12(2,20)6-19-5-7(3-17-19)9-8(10(14)15)4-16-11(13)18-9/h3-5,10,20H,6H2,1-2H3
InChIKeyWLXKINLVYRSEDZ-UHFFFAOYSA-N
MW302.71 g/mol
LogP2.70
Rot. Bonds4

About 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol

1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol (PubChem CID 166535069) has the molecular formula C12H13ClF2N4O and a molecular weight of 302.71 g/mol. Its IUPAC name is 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
PubChem CID166535069
Molecular FormulaC12H13ClF2N4O
Molecular Weight302.71 g/mol
Exact Mass302.07
IUPAC Name1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cn1cc(-c2nc(Cl)ncc2C(F)F)cn1
InChIInChI=1S/C12H13ClF2N4O/c1-12(2,20)6-19-5-7(3-17-19)9-8(10(14)15)4-16-11(13)18-9/h3-5,10,20H,6H2,1-2H3
InChIKeyWLXKINLVYRSEDZ-UHFFFAOYSA-N
XLogP2.70
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.71
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[5-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 166535133
3-chloro-4-[[5-chloro-4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
CID 170983168
1-[4-[6-chloro-4-(trideuteriomethoxy)-3-pyridinyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 175947839
1-[4-(3-bromo-6-chloroimidazo[1,2-b]pyridazin-7-yl)pyrazol-1-yl]-2-methylpropan-2-ol
CID 158073574
1-[4-[4-(2-fluorophenyl)phenyl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 166320415
1-(4-aminopyrazol-1-yl)-2-methylpropan-2-ol;ethane
CID 178006220
2-[4-(2-chloro-5-fluoropyrimidin-4-yl)-2-pyridinyl]propan-2-ol
CID 172590006
3-[[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 166535084
(2S)-2-amino-3-[4-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]phenyl]propanoic acid
CID 172529904
1-[4-[2-(4-aminosulfanyl-2-fluoroanilino)-5-(trifluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol;ethane
CID 177052382
1-[4-[2-[[(3R,4S)-1-cyclopropylsulfonyl-3-methylpiperidin-4-yl]amino]-5-methylpyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol
CID 160834205
(2R)-1-[4-[3-[[4-(difluoromethyl)pyrimidin-2-yl]amino]-5-methylphenyl]pyrazol-1-yl]-2,3-dimethylbutane-2,3-diol
CID 118208597

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol (CID 166535069) is 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol is CC(C)(O)Cn1cc(-c2nc(Cl)ncc2C(F)F)cn1.
What is the InChIKey of 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
The InChIKey is WLXKINLVYRSEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N4O/c1-12(2,20)6-19-5-7(3-17-19)9-8(10(14)15)4-16-11(13)18-9/h3-5,10,20H,6H2,1-2H3.
What are the key properties of 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol?
1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol has a molecular weight of 302.71 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]pyrazol-1-yl]-2-methylpropan-2-ol is sourced from PubChem (CID 166535069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).