chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine

C16H12CrF3N4O- — CID 155745982

IUPACchromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine
SMILESCn1cc(-c2cnc(OCc3cc[c-]cc3)cn2)c(C(F)(F)F)n1.[Cr]
InChIInChI=1S/C16H12F3N4O.Cr/c1-23-9-12(15(22-23)16(17,18)19)13-7-21-14(8-20-13)24-10-11-5-3-2-4-6-11;/h3-9H,10H2,1H3;/q-1;
InChIKeyCEUNSERTZPTGEG-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.27
Rot. Bonds4

About chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine

chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine (PubChem CID 155745982) has the molecular formula C16H12CrF3N4O- and a molecular weight of 385.29 g/mol. Its IUPAC name is chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine.

Molecular Properties

Compound Namechromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine
PubChem CID155745982
Molecular FormulaC16H12CrF3N4O-
Molecular Weight385.29 g/mol
Exact Mass385.04
IUPAC Namechromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine
SMILESCn1cc(-c2cnc(OCc3cc[c-]cc3)cn2)c(C(F)(F)F)n1.[Cr]
InChIInChI=1S/C16H12F3N4O.Cr/c1-23-9-12(15(22-23)16(17,18)19)13-7-21-14(8-20-13)24-10-11-5-3-2-4-6-11;/h3-9H,10H2,1H3;/q-1;
InChIKeyCEUNSERTZPTGEG-UHFFFAOYSA-N
XLogP3.27
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyridine
CID 155745979
4-[4-[(4-chlorophenyl)methoxy]-2-fluorophenyl]-1-methyl-3-(trifluoromethyl)pyrazole
CID 146433212
[2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-phenylmethoxyphenyl]methanol
CID 155746018
5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-phenylpyridine
CID 167969599
3-[[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]triazol-1-yl]methyl]pyridine
CID 167743688
[6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]oxyphosphane
CID 89410561
1-methyl-3-(trifluoromethyl)pyrazol-4-amine;hydrochloride
CID 75480753
4-chloro-1-methyl-3-(trifluoromethyl)pyrazole;ethane
CID 177147966
4-(cyclopropylmethoxy)-2-methyl-5-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrimidine
CID 144632594
4-[5-[(4-propylphenyl)methoxy]pyrazin-2-yl]benzonitrile
CID 19859231
1-methyl-3-(trifluoromethyl)pyrazole-4-thiol
CID 123615919
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 89023717

Frequently Asked Questions

What is the IUPAC name of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine?
The IUPAC name of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine (CID 155745982) is chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine.
What is the SMILES notation for chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine?
The canonical SMILES for chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine is Cn1cc(-c2cnc(OCc3cc[c-]cc3)cn2)c(C(F)(F)F)n1.[Cr].
What is the InChIKey of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine?
The InChIKey is CEUNSERTZPTGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N4O.Cr/c1-23-9-12(15(22-23)16(17,18)19)13-7-21-14(8-20-13)24-10-11-5-3-2-4-6-11;/h3-9H,10H2,1H3;/q-1;.
What are the key properties of chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine?
chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine has a molecular weight of 385.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for chromium;2-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(phenylmethoxy)pyrazine is sourced from PubChem (CID 155745982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).