4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole

C9H7F3N2O — CID 90705521

IUPAC4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1Cc1ccco1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)8-6(5-13-14-8)4-7-2-1-3-15-7/h1-3,5H,4H2,(H,13,14)
InChIKeyUITMNPJRJNTCKE-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.61
Rot. Bonds2

About 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole

4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 90705521) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
PubChem CID90705521
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1Cc1ccco1
InChIInChI=1S/C9H7F3N2O/c10-9(11,12)8-6(5-13-14-8)4-7-2-1-3-15-7/h1-3,5H,4H2,(H,13,14)
InChIKeyUITMNPJRJNTCKE-UHFFFAOYSA-N
XLogP2.61
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(Furan-2-yl)-1H-indazole
CID 53408421
3-(4-butoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 3312872
7,9-Dimethyl-1,4,5,6-tetrahydro-8-oxa-1,2-diaza-cyclopenta[e]azulene
CID 44330692
5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole
CID 2805853
6-Amino-4-(2-furyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3882909
3-(3-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 6483841
3-(furan-2-yl)-1H-pyrazole
CID 818920
3-(5-methylfuran-2-yl)-1H-pyrazole-4-carbaldehyde
CID 9267898
5-(2-methyl-5-phenylfuran-3-yl)-1H-pyrazole
CID 2742187
3-(3-Furyl)pyrazole
CID 53671153
(Furyl)(pyrazolyl)methane
CID 150420394
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(furan-3-yl)-N-methylmethanamine
CID 46982961

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole (CID 90705521) is 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1Cc1ccco1.
What is the InChIKey of 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is UITMNPJRJNTCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c10-9(11,12)8-6(5-13-14-8)4-7-2-1-3-15-7/h1-3,5H,4H2,(H,13,14).
What are the key properties of 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole?
4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 216.16 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 90705521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).