(4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

C19H23FN4O2 — CID 128987659

IUPAC(4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1[C@H]1[C@H](NCCOc2ccc(F)cc2)CC(=O)N1C1CC1
InChIInChI=1S/C19H23FN4O2/c1-23-17(8-9-22-23)19-16(12-18(25)24(19)14-4-5-14)21-10-11-26-15-6-2-13(20)3-7-15/h2-3,6-9,14,16,19,21H,4-5,10-12H2,1H3/t16-,19-/m1/s1
InChIKeyJWFYBJHALLPSFU-VQIMIIECSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds7

About (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one

(4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (PubChem CID 128987659) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
PubChem CID128987659
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name(4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
SMILESCn1nccc1[C@H]1[C@H](NCCOc2ccc(F)cc2)CC(=O)N1C1CC1
InChIInChI=1S/C19H23FN4O2/c1-23-17(8-9-22-23)19-16(12-18(25)24(19)14-4-5-14)21-10-11-26-15-6-2-13(20)3-7-15/h2-3,6-9,14,16,19,21H,4-5,10-12H2,1H3/t16-,19-/m1/s1
InChIKeyJWFYBJHALLPSFU-VQIMIIECSA-N
XLogP2.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R,5R)-4-(1,3-benzoxazol-2-ylmethylamino)-1-cyclopropyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128987637
(4R,5R)-1-cyclopropyl-4-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 128980643
(5R,6R)-1-cyclopropyl-5-(furan-2-ylmethylamino)-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128976738
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]cyclopropanesulfonamide
CID 128977876
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-3-hydroxy-3-methylbutanamide
CID 128971174
N-[(2R,3R)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)-6-oxopiperidin-3-yl]-5-methylfuran-3-carboxamide
CID 128971411
N-[2-(4-fluorophenoxy)ethyl]cyclohexanamine
CID 46835310
(5R,6R)-5-(1-methoxybutan-2-ylamino)-1-methyl-6-(2-methylpyrazol-3-yl)piperidin-2-one
CID 128983643
5-[2-[2-(4-fluorophenoxy)ethylamino]ethyl]-1-(2-pyridin-4-ylethyl)pyrrolidin-2-one
CID 45249931
(4R,5R)-4-[[(2R)-1-(2-fluorophenyl)propan-2-yl]amino]-1-methyl-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one
CID 129484302
N-[3-(4-fluorophenoxy)propyl]cyclohexanamine
CID 60683502

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one (CID 128987659) is (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is Cn1nccc1[C@H]1[C@H](NCCOc2ccc(F)cc2)CC(=O)N1C1CC1.
What is the InChIKey of (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
The InChIKey is JWFYBJHALLPSFU-VQIMIIECSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-23-17(8-9-22-23)19-16(12-18(25)24(19)14-4-5-14)21-10-11-26-15-6-2-13(20)3-7-15/h2-3,6-9,14,16,19,21H,4-5,10-12H2,1H3/t16-,19-/m1/s1.
What are the key properties of (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one?
(4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one has a molecular weight of 358.42 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-cyclopropyl-4-[2-(4-fluorophenoxy)ethylamino]-5-(2-methylpyrazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 128987659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).