N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide

C19H27N3O3 — CID 86995231

IUPACN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2cnn(C)c2)cc1OC
InChIInChI=1S/C19H27N3O3/c1-5-6-7-10-25-17-9-8-15(11-18(17)24-4)14(2)21-19(23)16-12-20-22(3)13-16/h8-9,11-14H,5-7,10H2,1-4H3,(H,21,23)
InChIKeyFOGZMDYVBGGOJP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.49
Rot. Bonds9

About N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide

N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide (PubChem CID 86995231) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
PubChem CID86995231
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
SMILESCCCCCOc1ccc(C(C)NC(=O)c2cnn(C)c2)cc1OC
InChIInChI=1S/C19H27N3O3/c1-5-6-7-10-25-17-9-8-15(11-18(17)24-4)14(2)21-19(23)16-12-20-22(3)13-16/h8-9,11-14H,5-7,10H2,1-4H3,(H,21,23)
InChIKeyFOGZMDYVBGGOJP-UHFFFAOYSA-N
XLogP3.49
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
N-[1-(4-cyclopentyloxy-3-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 86994806
4-[1-(4-butoxy-3-methoxyphenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 119181722
N-[(1S)-1-(4-methoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 96582836
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55785647
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide
CID 119722950
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 78902842
2-[1-(3-methoxy-4-pentoxyphenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974995
N-[1-(3-methoxy-4-tetradecoxyphenyl)ethyl]-1-methylpyridin-1-ium-2-carboxamide
CID 19016217
2-(aminomethyl)-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119722954
(2S)-2-amino-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119722949
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3,5-dimethylbenzamide
CID 55748439

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide (CID 86995231) is N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide is CCCCCOc1ccc(C(C)NC(=O)c2cnn(C)c2)cc1OC.
What is the InChIKey of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FOGZMDYVBGGOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-5-6-7-10-25-17-9-8-15(11-18(17)24-4)14(2)21-19(23)16-12-20-22(3)13-16/h8-9,11-14H,5-7,10H2,1-4H3,(H,21,23).
What are the key properties of N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide?
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86995231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).