N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide

C13H22N4O2 — CID 112669300

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H22N4O2/c1-4-11-9(8-17(2)16-11)6-15-13(18)12-5-10(19-3)7-14-12/h8,10,12,14H,4-7H2,1-3H3,(H,15,18)
InChIKeyJKIYSCZDVDFXLX-UHFFFAOYSA-N
MW266.34 g/mol
LogP-0.02
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 112669300) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID112669300
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCCc1nn(C)cc1CNC(=O)C1CC(OC)CN1
InChIInChI=1S/C13H22N4O2/c1-4-11-9(8-17(2)16-11)6-15-13(18)12-5-10(19-3)7-14-12/h8,10,12,14H,4-7H2,1-3H3,(H,15,18)
InChIKeyJKIYSCZDVDFXLX-UHFFFAOYSA-N
XLogP-0.02
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide (CID 112669300) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide is CCc1nn(C)cc1CNC(=O)C1CC(OC)CN1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is JKIYSCZDVDFXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-4-11-9(8-17(2)16-11)6-15-13(18)12-5-10(19-3)7-14-12/h8,10,12,14H,4-7H2,1-3H3,(H,15,18).
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 112669300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).