5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole

C10H11F3N4 — CID 165170431

IUPAC5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole
SMILESCc1cc(-c2cnc[nH]2)n(CCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4/c1-7-4-9(8-5-14-6-15-8)17(16-7)3-2-10(11,12)13/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyNWOBNTHFUNVFDN-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.53
Rot. Bonds3

About 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole

5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole (PubChem CID 165170431) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole
PubChem CID165170431
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole
SMILESCc1cc(-c2cnc[nH]2)n(CCC(F)(F)F)n1
InChIInChI=1S/C10H11F3N4/c1-7-4-9(8-5-14-6-15-8)17(16-7)3-2-10(11,12)13/h4-6H,2-3H2,1H3,(H,14,15)
InChIKeyNWOBNTHFUNVFDN-UHFFFAOYSA-N
XLogP2.53
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole?
The IUPAC name of 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole (CID 165170431) is 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole?
The canonical SMILES for 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole is Cc1cc(-c2cnc[nH]2)n(CCC(F)(F)F)n1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole?
The InChIKey is NWOBNTHFUNVFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-7-4-9(8-5-14-6-15-8)17(16-7)3-2-10(11,12)13/h4-6H,2-3H2,1H3,(H,14,15).
What are the key properties of 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole?
5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole has a molecular weight of 244.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-3-methyl-1-(3,3,3-trifluoropropyl)pyrazole is sourced from PubChem (CID 165170431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).