N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide

C13H21N3O2 — CID 164636273

IUPACN-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
SMILESCN(C[C@H]1CCOC1)C(=O)CCc1ccn(C)n1
InChIInChI=1S/C13H21N3O2/c1-15(9-11-6-8-18-10-11)13(17)4-3-12-5-7-16(2)14-12/h5,7,11H,3-4,6,8-10H2,1-2H3/t11-/m1/s1
InChIKeyYZEFDMQKWKKBFO-LLVKDONJSA-N
MW251.33 g/mol
LogP0.85
Rot. Bonds5

About N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide

N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide (PubChem CID 164636273) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
PubChem CID164636273
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide
SMILESCN(C[C@H]1CCOC1)C(=O)CCc1ccn(C)n1
InChIInChI=1S/C13H21N3O2/c1-15(9-11-6-8-18-10-11)13(17)4-3-12-5-7-16(2)14-12/h5,7,11H,3-4,6,8-10H2,1-2H3/t11-/m1/s1
InChIKeyYZEFDMQKWKKBFO-LLVKDONJSA-N
XLogP0.85
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
The IUPAC name of N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide (CID 164636273) is N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide.
What is the SMILES notation for N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
The canonical SMILES for N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide is CN(C[C@H]1CCOC1)C(=O)CCc1ccn(C)n1.
What is the InChIKey of N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
The InChIKey is YZEFDMQKWKKBFO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-15(9-11-6-8-18-10-11)13(17)4-3-12-5-7-16(2)14-12/h5,7,11H,3-4,6,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide?
N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide has a molecular weight of 251.33 g/mol, XLogP of 0.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1-methylpyrazol-3-yl)-N-[[(3R)-oxolan-3-yl]methyl]propanamide is sourced from PubChem (CID 164636273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).