1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole

C10H11F3N4 — CID 116621340

IUPAC1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole
SMILESCCn1cc(Cn2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H11F3N4/c1-2-16-6-8(5-14-16)7-17-4-3-9(15-17)10(11,12)13/h3-6H,2,7H2,1H3
InChIKeyANCIWVDQKVAENT-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.17
Rot. Bonds3

About 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole

1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole (PubChem CID 116621340) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole
PubChem CID116621340
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole
SMILESCCn1cc(Cn2ccc(C(F)(F)F)n2)cn1
InChIInChI=1S/C10H11F3N4/c1-2-16-6-8(5-14-16)7-17-4-3-9(15-17)10(11,12)13/h3-6H,2,7H2,1H3
InChIKeyANCIWVDQKVAENT-UHFFFAOYSA-N
XLogP2.17
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Pyrazole, 1,3-dimethyl-
CID 79096
1-Methyl-5-(trifluoromethyl)-1H-pyrazole
CID 15420922
1H-Pyrazole, 1-ethenyl-3-methyl-
CID 3016825
3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]butanenitrile
CID 19616525
3-(3-(Trifluoromethyl)-1H-pyrazol-1-yl)pentanenitrile
CID 25247439
1-Methyl-3-(trifluoromethyl)-1H-pyrazole
CID 2780404
3-(Difluoromethyl)-1-methyl-1H-pyrazole
CID 54241061
1,1'-Methylenebis(3-methyl-1H-pyrazole)
CID 15210309
1-Cyclopentyl-3-(trifluoromethyl)pyrazole
CID 66016918
1-cyclopentyl-5-(trifluoromethyl)-1H-pyrazole
CID 155943580
1-ethyl-3-methyl-1H-pyrazole
CID 12002774
1-ethyl-5-methyl-1H-pyrazole
CID 12295520

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole (CID 116621340) is 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole is CCn1cc(Cn2ccc(C(F)(F)F)n2)cn1.
What is the InChIKey of 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole?
The InChIKey is ANCIWVDQKVAENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-2-16-6-8(5-14-16)7-17-4-3-9(15-17)10(11,12)13/h3-6H,2,7H2,1H3.
What are the key properties of 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole?
1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole has a molecular weight of 244.22 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 116621340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).