[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

C14H13F2N3O — CID 124617132

IUPAC[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CC[C@H](c2c(F)cccc2F)C1
InChIInChI=1S/C14H13F2N3O/c15-11-2-1-3-12(16)13(11)9-4-5-19(8-9)14(20)10-6-17-18-7-10/h1-3,6-7,9H,4-5,8H2,(H,17,18)/t9-/m0/s1
InChIKeyHVYLMCCCWUVCNS-VIFPVBQESA-N
MW277.27 g/mol
LogP2.32
Rot. Bonds2

About [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone

[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (PubChem CID 124617132) has the molecular formula C14H13F2N3O and a molecular weight of 277.27 g/mol. Its IUPAC name is [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
PubChem CID124617132
Molecular FormulaC14H13F2N3O
Molecular Weight277.27 g/mol
Exact Mass277.10
IUPAC Name[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CC[C@H](c2c(F)cccc2F)C1
InChIInChI=1S/C14H13F2N3O/c15-11-2-1-3-12(16)13(11)9-4-5-19(8-9)14(20)10-6-17-18-7-10/h1-3,6-7,9H,4-5,8H2,(H,17,18)/t9-/m0/s1
InChIKeyHVYLMCCCWUVCNS-VIFPVBQESA-N
XLogP2.32
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone (CID 124617132) is [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CC[C@H](c2c(F)cccc2F)C1.
What is the InChIKey of [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
The InChIKey is HVYLMCCCWUVCNS-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13F2N3O/c15-11-2-1-3-12(16)13(11)9-4-5-19(8-9)14(20)10-6-17-18-7-10/h1-3,6-7,9H,4-5,8H2,(H,17,18)/t9-/m0/s1.
What are the key properties of [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone?
[(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone has a molecular weight of 277.27 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2,6-difluorophenyl)pyrrolidin-1-yl]-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 124617132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).