(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

C19H21FN4O3 — CID 97417299

IUPAC(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1CCOC2
InChIInChI=1S/C19H21FN4O3/c1-23-17-6-7-27-11-15(17)16(22-23)9-21-19(26)12-8-18(25)24(10-12)14-4-2-13(20)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,26)/t12-/m1/s1
InChIKeyGALSFQMKBWNPBD-GFCCVEGCSA-N
MW372.40 g/mol
LogP1.30
Rot. Bonds4

About (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97417299) has the molecular formula C19H21FN4O3 and a molecular weight of 372.40 g/mol. Its IUPAC name is (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97417299
Molecular FormulaC19H21FN4O3
Molecular Weight372.40 g/mol
Exact Mass372.16
IUPAC Name(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1CCOC2
InChIInChI=1S/C19H21FN4O3/c1-23-17-6-7-27-11-15(17)16(22-23)9-21-19(26)12-8-18(25)24(10-12)14-4-2-13(20)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,26)/t12-/m1/s1
InChIKeyGALSFQMKBWNPBD-GFCCVEGCSA-N
XLogP1.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(4-fluorophenyl)-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 6458569
(3S)-1-(4-fluorophenyl)-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 25409846
(3S)-1-(4-fluorophenyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 7369086
1-(4-fluorophenyl)-N-heptyl-5-oxopyrrolidine-3-carboxamide
CID 17310603
(3R)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 7228556
N-[(4-fluorophenyl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42881995
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
(3R)-1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 702195
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 90543645
1-(4-chlorophenyl)-N-[[5-(4-fluorophenyl)-1,2-oxazol-3-yl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 16866958
(3S)-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 25410147
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 2640232

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 97417299) is (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is Cn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2c1CCOC2.
What is the InChIKey of (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is GALSFQMKBWNPBD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21FN4O3/c1-23-17-6-7-27-11-15(17)16(22-23)9-21-19(26)12-8-18(25)24(10-12)14-4-2-13(20)3-5-14/h2-5,12H,6-11H2,1H3,(H,21,26)/t12-/m1/s1.
What are the key properties of (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-fluorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97417299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).