N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

C16H22N4O2 — CID 71865736

IUPACN-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1occc1CNC(=O)N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C16H22N4O2/c1-12-15(4-6-22-12)9-17-16(21)20-5-3-13(11-20)7-14-8-18-19(2)10-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,21)
InChIKeyXGISPMCQOWNUGC-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.10
Rot. Bonds4

About N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide

N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71865736) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71865736
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1occc1CNC(=O)N1CCC(Cc2cnn(C)c2)C1
InChIInChI=1S/C16H22N4O2/c1-12-15(4-6-22-12)9-17-16(21)20-5-3-13(11-20)7-14-8-18-19(2)10-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,21)
InChIKeyXGISPMCQOWNUGC-UHFFFAOYSA-N
XLogP2.10
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71865736) is N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is Cc1occc1CNC(=O)N1CCC(Cc2cnn(C)c2)C1.
What is the InChIKey of N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is XGISPMCQOWNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-15(4-6-22-12)9-17-16(21)20-5-3-13(11-20)7-14-8-18-19(2)10-14/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3,(H,17,21).
What are the key properties of N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylfuran-3-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71865736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).