N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide

C17H23N3O2 — CID 47024435

IUPACN-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2ccccc2OC)n[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-8-13-11-15(19-18-13)17(21)20(3)12(2)14-9-6-7-10-16(14)22-4/h6-7,9-12H,5,8H2,1-4H3,(H,18,19)
InChIKeyRBQWEUPBFATZKG-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.20
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide

N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 47024435) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID47024435
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)N(C)C(C)c2ccccc2OC)n[nH]1
InChIInChI=1S/C17H23N3O2/c1-5-8-13-11-15(19-18-13)17(21)20(3)12(2)14-9-6-7-10-16(14)22-4/h6-7,9-12H,5,8H2,1-4H3,(H,18,19)
InChIKeyRBQWEUPBFATZKG-UHFFFAOYSA-N
XLogP3.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-chlorophenyl)ethyl]-5-ethyl-N-methyl-1H-pyrazole-3-carboxamide
CID 78861160
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 24674354
N-[1-(2-methoxyphenyl)ethyl]-5-propan-2-yl-N-propyl-1H-pyrazole-3-carboxamide
CID 138995383
N-methyl-5-propyl-N-[1-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 24675406
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
6-bromo-N-[1-(2-methoxyphenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 103889671
N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
N-(3-hydroxy-3-phenylpropyl)-N-methyl-5-propyl-1H-pyrazole-3-carboxamide
CID 46996324
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 5-propyl-1H-pyrazole-3-carboxylate
CID 55601702
N-[(2R)-butan-2-yl]-N-methyl-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 95207016
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95401315
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide (CID 47024435) is N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)N(C)C(C)c2ccccc2OC)n[nH]1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is RBQWEUPBFATZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-8-13-11-15(19-18-13)17(21)20(3)12(2)14-9-6-7-10-16(14)22-4/h6-7,9-12H,5,8H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide?
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47024435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).