N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

C20H27N3O2 — CID 154578982

IUPACN-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCCCn1nc(CCC(=O)NCc2cccc(C)c2)c2c1CCOC2
InChIInChI=1S/C20H27N3O2/c1-3-10-23-19-9-11-25-14-17(19)18(22-23)7-8-20(24)21-13-16-6-4-5-15(2)12-16/h4-6,12H,3,7-11,13-14H2,1-2H3,(H,21,24)
InChIKeyQRVZBQBHQDCPKC-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.92
Rot. Bonds7

About N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (PubChem CID 154578982) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
PubChem CID154578982
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCCCn1nc(CCC(=O)NCc2cccc(C)c2)c2c1CCOC2
InChIInChI=1S/C20H27N3O2/c1-3-10-23-19-9-11-25-14-17(19)18(22-23)7-8-20(24)21-13-16-6-4-5-15(2)12-16/h4-6,12H,3,7-11,13-14H2,1-2H3,(H,21,24)
InChIKeyQRVZBQBHQDCPKC-UHFFFAOYSA-N
XLogP2.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-3-(2-morpholin-4-ylethylamino)propanamide
CID 109016697
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylethylamino)acetamide
CID 108994751
N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154578957
N-[2-(6,7-dihydro-4H-pyrano[3,4-d]pyrazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 90615127
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
N-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994238
3-[4-(diethylsulfamoyl)phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 33281109
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
N-[(3-methylphenyl)methyl]-3-morpholin-4-yl-3-oxopropanamide
CID 108943433
4-methyl-N-[(3-methylphenyl)methyl]pentanamide
CID 134063149
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide
CID 134003556
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (CID 154578982) is N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is CCCn1nc(CCC(=O)NCc2cccc(C)c2)c2c1CCOC2.
What is the InChIKey of N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The InChIKey is QRVZBQBHQDCPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-10-23-19-9-11-25-14-17(19)18(22-23)7-8-20(24)21-13-16-6-4-5-15(2)12-16/h4-6,12H,3,7-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide has a molecular weight of 341.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 154578982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).