N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide

C18H25N3O3 — CID 134060511

IUPACN-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(CCNC(=O)C(C)n2cccn2)cc1OCC
InChIInChI=1S/C18H25N3O3/c1-4-23-16-8-7-15(13-17(16)24-5-2)9-11-19-18(22)14(3)21-12-6-10-20-21/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H,19,22)
InChIKeyWXUSOANPIUCFNP-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.60
Rot. Bonds9

About N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide

N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 134060511) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID134060511
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCCOc1ccc(CCNC(=O)C(C)n2cccn2)cc1OCC
InChIInChI=1S/C18H25N3O3/c1-4-23-16-8-7-15(13-17(16)24-5-2)9-11-19-18(22)14(3)21-12-6-10-20-21/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H,19,22)
InChIKeyWXUSOANPIUCFNP-UHFFFAOYSA-N
XLogP2.60
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
2-acetamido-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 78778592
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
1-[2-(3,4-diethoxyphenyl)ethyl]-3-(2-hydroxyphenyl)urea
CID 108871526
2-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-3-methoxypropanamide;hydrochloride
CID 120983522
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623434

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide (CID 134060511) is N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide is CCOc1ccc(CCNC(=O)C(C)n2cccn2)cc1OCC.
What is the InChIKey of N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is WXUSOANPIUCFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-23-16-8-7-15(13-17(16)24-5-2)9-11-19-18(22)14(3)21-12-6-10-20-21/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide?
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 2.60, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 134060511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).