4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole

C8H10F3N3 — CID 82659073

IUPAC4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1C1CCNC1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-6(4-13-14-7)5-1-2-12-3-5/h4-5,12H,1-3H2,(H,13,14)
InChIKeyQKXBIGCMINJFFR-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.51
Rot. Bonds1

About 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole

4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole (PubChem CID 82659073) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole
PubChem CID82659073
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC Name4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole
SMILESFC(F)(F)c1[nH]ncc1C1CCNC1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)7-6(4-13-14-7)5-1-2-12-3-5/h4-5,12H,1-3H2,(H,13,14)
InChIKeyQKXBIGCMINJFFR-UHFFFAOYSA-N
XLogP1.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole?
The IUPAC name of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole (CID 82659073) is 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole.
What is the SMILES notation for 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole?
The canonical SMILES for 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole is FC(F)(F)c1[nH]ncc1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole?
The InChIKey is QKXBIGCMINJFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)7-6(4-13-14-7)5-1-2-12-3-5/h4-5,12H,1-3H2,(H,13,14).
What are the key properties of 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole?
4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole has a molecular weight of 205.18 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-5-(trifluoromethyl)-1H-pyrazole is sourced from PubChem (CID 82659073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).