N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide

C18H23N3O2 — CID 146073424

IUPACN-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide
SMILESCC(C(=O)NCCc1nn(C)c2c1COCC2)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(14-6-4-3-5-7-14)18(22)19-10-8-16-15-12-23-11-9-17(15)21(2)20-16/h3-7,13H,8-12H2,1-2H3,(H,19,22)
InChIKeyIFMWOCLVDUVPRE-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.96
Rot. Bonds5

About N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide

N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide (PubChem CID 146073424) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide
PubChem CID146073424
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide
SMILESCC(C(=O)NCCc1nn(C)c2c1COCC2)c1ccccc1
InChIInChI=1S/C18H23N3O2/c1-13(14-6-4-3-5-7-14)18(22)19-10-8-16-15-12-23-11-9-17(15)21(2)20-16/h3-7,13H,8-12H2,1-2H3,(H,19,22)
InChIKeyIFMWOCLVDUVPRE-UHFFFAOYSA-N
XLogP1.96
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-indol-3-yl)-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]butanamide
CID 154578483
N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 71808473
3-(4-methoxyphenyl)sulfonyl-N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]propanamide
CID 154578527
3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 146072644
1-(azepan-1-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propan-1-one
CID 146071198
1-methyl-N-(2-phenylethyl)-5-(propan-2-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165012
(2S)-3-hydroxy-N-(2-morpholin-4-ylethyl)-2-(2-phenylpropanoylamino)propanamide
CID 6722979
N-[2-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]-2-phenoxyacetamide
CID 146073461
N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146071181
1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 91915303
N-[2-(cyclohexen-1-yl)ethyl]-2-phenylpropanamide
CID 71304909
1-methyl-5-(3-methylbutylamino)-N-(2-phenylethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165215

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide (CID 146073424) is N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide is CC(C(=O)NCCc1nn(C)c2c1COCC2)c1ccccc1.
What is the InChIKey of N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide?
The InChIKey is IFMWOCLVDUVPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13(14-6-4-3-5-7-14)18(22)19-10-8-16-15-12-23-11-9-17(15)21(2)20-16/h3-7,13H,8-12H2,1-2H3,(H,19,22).
What are the key properties of N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide?
N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 146073424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).