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

C19H26N4O2 — CID 71865718

IUPACN-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)cc1C
InChIInChI=1S/C19H26N4O2/c1-14-8-15(4-5-18(14)25-3)10-20-19(24)23-7-6-16(13-23)9-17-11-21-22(2)12-17/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3,(H,20,24)
InChIKeyMSAXFKGVAFCKBP-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.51
Rot. Bonds5

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

N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865718) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865718
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)cc1C
InChIInChI=1S/C19H26N4O2/c1-14-8-15(4-5-18(14)25-3)10-20-19(24)23-7-6-16(13-23)9-17-11-21-22(2)12-17/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3,(H,20,24)
InChIKeyMSAXFKGVAFCKBP-UHFFFAOYSA-N
XLogP2.51
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71865718) is N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is COc1ccc(CNC(=O)N2CCC(Cc3cnn(C)c3)C2)cc1C.
What is the InChIKey of N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is MSAXFKGVAFCKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-14-8-15(4-5-18(14)25-3)10-20-19(24)23-7-6-16(13-23)9-17-11-21-22(2)12-17/h4-5,8,11-12,16H,6-7,9-10,13H2,1-3H3,(H,20,24).
What are the key properties of N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3-methylphenyl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).