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

C18H31N5O2 — CID 71925245

IUPACN-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(Cc2cnn(C)c2)C1)CN1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-15(12-22-5-7-25-8-6-22)10-19-18(24)23-4-3-16(14-23)9-17-11-20-21(2)13-17/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,19,24)
InChIKeyOHQWEIFLGJHFEB-UHFFFAOYSA-N
MW349.48 g/mol
LogP0.96
Rot. Bonds6

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

N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 71925245) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID71925245
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC NameN-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide
SMILESCC(CNC(=O)N1CCC(Cc2cnn(C)c2)C1)CN1CCOCC1
InChIInChI=1S/C18H31N5O2/c1-15(12-22-5-7-25-8-6-22)10-19-18(24)23-4-3-16(14-23)9-17-11-20-21(2)13-17/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,19,24)
InChIKeyOHQWEIFLGJHFEB-UHFFFAOYSA-N
XLogP0.96
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide (CID 71925245) is N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is CC(CNC(=O)N1CCC(Cc2cnn(C)c2)C1)CN1CCOCC1.
What is the InChIKey of N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is OHQWEIFLGJHFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-15(12-22-5-7-25-8-6-22)10-19-18(24)23-4-3-16(14-23)9-17-11-20-21(2)13-17/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide?
N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3-morpholin-4-ylpropyl)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71925245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).