3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

C13H17N3O2 — CID 134037132

IUPAC3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCc1ccco1
InChIInChI=1S/C13H17N3O2/c1-15(9-11-8-14-16(2)10-11)13(17)6-5-12-4-3-7-18-12/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyKFMCTUUICAQMAW-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.60
Rot. Bonds5

About 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide

3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 134037132) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
PubChem CID134037132
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
SMILESCN(Cc1cnn(C)c1)C(=O)CCc1ccco1
InChIInChI=1S/C13H17N3O2/c1-15(9-11-8-14-16(2)10-11)13(17)6-5-12-4-3-7-18-12/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyKFMCTUUICAQMAW-UHFFFAOYSA-N
XLogP1.60
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-yl)propanoyl-methylamino]acetic acid
CID 28778124
N-[(4-chlorophenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78768756
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-thiophen-2-ylbutanamide
CID 134037051
3-(furan-2-yl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 134013135
N-[(4-ethoxyphenyl)methyl]-3-(furan-2-yl)-N-methylpropanamide
CID 78779679
3-(furan-2-yl)-N-methyl-N-[[(2R,3S)-1-methyl-2-(1-methylpyrazol-4-yl)piperidin-3-yl]methyl]propanamide
CID 129006514
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31850784
N-(2-bromoethyl)-3-(furan-2-yl)-N-methylpropanamide
CID 80659443
3-(furan-2-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylpropanamide
CID 63930998
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31848008
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 31843584
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide (CID 134037132) is 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is CN(Cc1cnn(C)c1)C(=O)CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is KFMCTUUICAQMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-15(9-11-8-14-16(2)10-11)13(17)6-5-12-4-3-7-18-12/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide?
3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 134037132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).