pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone

C9H10F3N3O — CID 110848542

IUPACpyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1C(F)(F)F)N1CCCC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-6(5-13-14-7)8(16)15-3-1-2-4-15/h5H,1-4H2,(H,13,14)
InChIKeyMNMNFOUEZBLNKC-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.66
Rot. Bonds1

About pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone

pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone (PubChem CID 110848542) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
PubChem CID110848542
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Namepyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
SMILESO=C(c1cn[nH]c1C(F)(F)F)N1CCCC1
InChIInChI=1S/C9H10F3N3O/c10-9(11,12)7-6(5-13-14-7)8(16)15-3-1-2-4-15/h5H,1-4H2,(H,13,14)
InChIKeyMNMNFOUEZBLNKC-UHFFFAOYSA-N
XLogP1.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone
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[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
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2-(methylamino)-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 96862308
morpholin-4-yl-[5-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-yl]methanone
CID 155958724
(5-methyl-1H-pyrazol-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 62065172
(5-methyl-1H-pyrazol-4-yl)-[3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 128980200
(5-methyl-1H-indazol-7-yl)-pyrrolidin-1-ylmethanone
CID 166182991
(5-amino-1H-pyrazol-4-yl)-(1,4-thiazepan-4-yl)methanone
CID 61423629
(5-iodo-1H-pyrazol-4-yl)-(4-methylazepan-1-yl)methanone
CID 126824528
(5-methyl-1H-pyrazol-4-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone (CID 110848542) is pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone is O=C(c1cn[nH]c1C(F)(F)F)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
The InChIKey is MNMNFOUEZBLNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c10-9(11,12)7-6(5-13-14-7)8(16)15-3-1-2-4-15/h5H,1-4H2,(H,13,14).
What are the key properties of pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone?
pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone has a molecular weight of 233.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[5-(trifluoromethyl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 110848542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).