N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C19H26N4O2 — CID 71865749

IUPACN-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOc1cccc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-3-25-18-6-4-5-15(10-18)11-20-19(24)23-8-7-16(14-23)9-17-12-21-22(2)13-17/h4-6,10,12-13,16H,3,7-9,11,14H2,1-2H3,(H,20,24)
InChIKeyGSKIYQAITMIRPP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.59
Rot. Bonds6

About N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865749) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865749
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCCOc1cccc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)c1
InChIInChI=1S/C19H26N4O2/c1-3-25-18-6-4-5-15(10-18)11-20-19(24)23-8-7-16(14-23)9-17-12-21-22(2)13-17/h4-6,10,12-13,16H,3,7-9,11,14H2,1-2H3,(H,20,24)
InChIKeyGSKIYQAITMIRPP-UHFFFAOYSA-N
XLogP2.59
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71865749) is N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CCOc1cccc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)c1.
What is the InChIKey of N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is GSKIYQAITMIRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-3-25-18-6-4-5-15(10-18)11-20-19(24)23-8-7-16(14-23)9-17-12-21-22(2)13-17/h4-6,10,12-13,16H,3,7-9,11,14H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).