5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C13H10ClF3N6 — CID 176842767

IUPAC5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C13H10ClF3N6/c1-22-5-8(2-20-22)12-21-10(13(15,16)17)6-23(12)7-11-18-3-9(14)4-19-11/h2-6H,7H2,1H3
InChIKeyAPXDEJBUBUFIIO-UHFFFAOYSA-N
MW342.71 g/mol
LogP2.79
Rot. Bonds3

About 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 176842767) has the molecular formula C13H10ClF3N6 and a molecular weight of 342.71 g/mol. Its IUPAC name is 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID176842767
Molecular FormulaC13H10ClF3N6
Molecular Weight342.71 g/mol
Exact Mass342.06
IUPAC Name5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCn1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1
InChIInChI=1S/C13H10ClF3N6/c1-22-5-8(2-20-22)12-21-10(13(15,16)17)6-23(12)7-11-18-3-9(14)4-19-11/h2-6H,7H2,1H3
InChIKeyAPXDEJBUBUFIIO-UHFFFAOYSA-N
XLogP2.79
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-[3-chloro-1-[2-(4-ethyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190276
2-N-[5-chloro-1-[2-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72190897
2-N-[3-chloro-1-[2-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 72191206
1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
2-[(4-Methylpyrazol-1-yl)methyl]-1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine
CID 56780377
7-[(1-methylpyrazol-4-yl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97467468
N-[(1,2-dimethyl-1H-imidazol-5-yl)methyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 74243593
1-(Difluoromethyl)-2-[(4-methylpyrazol-1-yl)methyl]imidazole
CID 132286804
N-[9-ethyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]purin-6-yl]methanimine
CID 123350722
[9-Ethyl-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]purin-6-yl]-methylidyneazanium
CID 123757833
4-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine;1-methylpyrazol-4-amine
CID 160693020
5-Chloro-2-[[4-(difluoromethyl)-2-(2-methylpyrimidin-5-yl)imidazol-1-yl]methyl]pyrimidine
CID 168228964

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 176842767) is 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cn1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cn1.
What is the InChIKey of 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is APXDEJBUBUFIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF3N6/c1-22-5-8(2-20-22)12-21-10(13(15,16)17)6-23(12)7-11-18-3-9(14)4-19-11/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 342.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 176842767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).