(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

C24H25ClFN5O3 — CID 68822035

IUPAC(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCc1ccnn1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H25ClFN5O3/c1-3-17-10-11-27-31(17)18-8-9-21(20(26)12-18)29-23(32)22-13-19(34-2)14-30(22)24(33)28-16-6-4-15(25)5-7-16/h4-12,19,22H,3,13-14H2,1-2H3,(H,28,33)(H,29,32)/t19-,22-/m1/s1
InChIKeyADCXRLGAIKNOBY-DENIHFKCSA-N
MW485.95 g/mol
LogP4.49
Rot. Bonds6

About (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide

(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (PubChem CID 68822035) has the molecular formula C24H25ClFN5O3 and a molecular weight of 485.95 g/mol. Its IUPAC name is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
PubChem CID68822035
Molecular FormulaC24H25ClFN5O3
Molecular Weight485.95 g/mol
Exact Mass485.16
IUPAC Name(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide
SMILESCCc1ccnn1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1
InChIInChI=1S/C24H25ClFN5O3/c1-3-17-10-11-27-31(17)18-8-9-21(20(26)12-18)29-23(32)22-13-19(34-2)14-30(22)24(33)28-16-6-4-15(25)5-7-16/h4-12,19,22H,3,13-14H2,1-2H3,(H,28,33)(H,29,32)/t19-,22-/m1/s1
InChIKeyADCXRLGAIKNOBY-DENIHFKCSA-N
XLogP4.49
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.95
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide (CID 68822035) is (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is CCc1ccnn1-c1ccc(NC(=O)[C@H]2C[C@@H](OC)CN2C(=O)Nc2ccc(Cl)cc2)c(F)c1.
What is the InChIKey of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
The InChIKey is ADCXRLGAIKNOBY-DENIHFKCSA-N. The full InChI is InChI=1S/C24H25ClFN5O3/c1-3-17-10-11-27-31(17)18-8-9-21(20(26)12-18)29-23(32)22-13-19(34-2)14-30(22)24(33)28-16-6-4-15(25)5-7-16/h4-12,19,22H,3,13-14H2,1-2H3,(H,28,33)(H,29,32)/t19-,22-/m1/s1.
What are the key properties of (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide?
(2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide has a molecular weight of 485.95 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-N-(4-chlorophenyl)-2-N-[4-(5-ethylpyrazol-1-yl)-2-fluorophenyl]-4-methoxypyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 68822035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).