[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

C19H22FN3O — CID 129422473

IUPAC[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H22FN3O/c1-22-11-14(10-21-22)7-13-5-6-23(12-13)19(24)18-9-17(18)15-3-2-4-16(20)8-15/h2-4,8,10-11,13,17-18H,5-7,9,12H2,1H3/t13-,17-,18+/m0/s1
InChIKeyKZPWEPGBWFDGMW-DOPJRALCSA-N
MW327.40 g/mol
LogP2.75
Rot. Bonds4

About [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone

[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 129422473) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID129422473
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCn1cc(C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3)C2)cn1
InChIInChI=1S/C19H22FN3O/c1-22-11-14(10-21-22)7-13-5-6-23(12-13)19(24)18-9-17(18)15-3-2-4-16(20)8-15/h2-4,8,10-11,13,17-18H,5-7,9,12H2,1H3/t13-,17-,18+/m0/s1
InChIKeyKZPWEPGBWFDGMW-DOPJRALCSA-N
XLogP2.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone (CID 129422473) is [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is Cn1cc(C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(F)c3)C2)cn1.
What is the InChIKey of [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is KZPWEPGBWFDGMW-DOPJRALCSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-22-11-14(10-21-22)7-13-5-6-23(12-13)19(24)18-9-17(18)15-3-2-4-16(20)8-15/h2-4,8,10-11,13,17-18H,5-7,9,12H2,1H3/t13-,17-,18+/m0/s1.
What are the key properties of [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone?
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 327.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 129422473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).