1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole

C19H24FN3O2 — CID 68779837

IUPAC1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole
SMILESCOCCOc1cc(F)cc([C@H]2CCCN2c2ccnn2C2CC2)c1
InChIInChI=1S/C19H24FN3O2/c1-24-9-10-25-17-12-14(11-15(20)13-17)18-3-2-8-22(18)19-6-7-21-23(19)16-4-5-16/h6-7,11-13,16,18H,2-5,8-10H2,1H3/t18-/m1/s1
InChIKeyBNDQCVSMOIBZCI-GOSISDBHSA-N
MW345.42 g/mol
LogP3.72
Rot. Bonds7

About 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole

1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole (PubChem CID 68779837) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole.

Molecular Properties

Compound Name1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole
PubChem CID68779837
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole
SMILESCOCCOc1cc(F)cc([C@H]2CCCN2c2ccnn2C2CC2)c1
InChIInChI=1S/C19H24FN3O2/c1-24-9-10-25-17-12-14(11-15(20)13-17)18-3-2-8-22(18)19-6-7-21-23(19)16-4-5-16/h6-7,11-13,16,18H,2-5,8-10H2,1H3/t18-/m1/s1
InChIKeyBNDQCVSMOIBZCI-GOSISDBHSA-N
XLogP3.72
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 141292503
[3-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]-2H-pyran-6-yl]diazene
CID 123500847
(2R)-1-(2-cyclopropylpyrazol-3-yl)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]butan-1-imine
CID 174652612
5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500168
4-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazol-1-yl]piperidine-1-sulfonamide
CID 123702425
5-[(2R)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 162799085
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 162933789
[5-[[2-[3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
CID 75131135
5-[1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-yl]-3-[4-(2-methoxyethoxy)-2-pyridinyl]-1,2,4-oxadiazole
CID 75131153
(2S)-2-(4-fluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 94616401
5-[(2S)-2-(3,5-difluorophenyl)pyrrolidin-1-yl]pyrazin-2-amine
CID 146380808
3-[4-(2-methoxyethoxy)-2-pyridinyl]-5-[(2R)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 163060423

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole?
The IUPAC name of 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole (CID 68779837) is 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole.
What is the SMILES notation for 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole?
The canonical SMILES for 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole is COCCOc1cc(F)cc([C@H]2CCCN2c2ccnn2C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole?
The InChIKey is BNDQCVSMOIBZCI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-24-9-10-25-17-12-14(11-15(20)13-17)18-3-2-8-22(18)19-6-7-21-23(19)16-4-5-16/h6-7,11-13,16,18H,2-5,8-10H2,1H3/t18-/m1/s1.
What are the key properties of 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole?
1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole has a molecular weight of 345.42 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-5-[(2R)-2-[3-fluoro-5-(2-methoxyethoxy)phenyl]pyrrolidin-1-yl]pyrazole is sourced from PubChem (CID 68779837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).