2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

C15H12ClF3N6O2 — CID 3860752

IUPAC2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cn1
InChIInChI=1S/C15H12ClF3N6O2/c1-7-11(8(2)27-24-7)6-25-5-9(3-21-25)22-13(26)10-4-20-14(16)23-12(10)15(17,18)19/h3-5H,6H2,1-2H3,(H,22,26)
InChIKeyVDKFIDXGXBJNEY-UHFFFAOYSA-N
MW400.75 g/mol
LogP3.25
Rot. Bonds4

About 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide

2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (PubChem CID 3860752) has the molecular formula C15H12ClF3N6O2 and a molecular weight of 400.75 g/mol. Its IUPAC name is 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
PubChem CID3860752
Molecular FormulaC15H12ClF3N6O2
Molecular Weight400.75 g/mol
Exact Mass400.07
IUPAC Name2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cn1
InChIInChI=1S/C15H12ClF3N6O2/c1-7-11(8(2)27-24-7)6-25-5-9(3-21-25)22-13(26)10-4-20-14(16)23-12(10)15(17,18)19/h3-5H,6H2,1-2H3,(H,22,26)
InChIKeyVDKFIDXGXBJNEY-UHFFFAOYSA-N
XLogP3.25
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.75
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide (CID 3860752) is 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is Cc1noc(C)c1Cn1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cn1.
What is the InChIKey of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
The InChIKey is VDKFIDXGXBJNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N6O2/c1-7-11(8(2)27-24-7)6-25-5-9(3-21-25)22-13(26)10-4-20-14(16)23-12(10)15(17,18)19/h3-5H,6H2,1-2H3,(H,22,26).
What are the key properties of 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide?
2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide has a molecular weight of 400.75 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-(trifluoromethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 3860752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).