2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid

C18H23N3O5 — CID 19623434

IUPAC2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCCOc1ccc(CCNC(=O)c2ccn(CC(=O)O)n2)cc1OCC
InChIInChI=1S/C18H23N3O5/c1-3-25-15-6-5-13(11-16(15)26-4-2)7-9-19-18(24)14-8-10-21(20-14)12-17(22)23/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyQLACZORIHVRARQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.74
Rot. Bonds10

About 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid

2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid (PubChem CID 19623434) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
PubChem CID19623434
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
SMILESCCOc1ccc(CCNC(=O)c2ccn(CC(=O)O)n2)cc1OCC
InChIInChI=1S/C18H23N3O5/c1-3-25-15-6-5-13(11-16(15)26-4-2)7-9-19-18(24)14-8-10-21(20-14)12-17(22)23/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3,(H,19,24)(H,22,23)
InChIKeyQLACZORIHVRARQ-UHFFFAOYSA-N
XLogP1.74
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623363
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(1,2,4-triazol-4-yl)oxamide
CID 108519171
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55488337
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269254
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[(2-methylphenoxy)methyl]pyrazole-3-carboxamide
CID 19277379
N-[2-(3,4-diethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 134060511
ethyl N-[2-(3,4-diethoxyphenyl)ethyl]carbamate
CID 60637680
N-[2-(3,4-diethoxyphenyl)ethyl]-2-hydroxy-4-methylbenzamide
CID 33239228
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylsulfanylacetamide
CID 112763526
N-[2-(3,4-diethoxyphenyl)ethyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26659207
4-(aminomethyl)-N-[2-(3,4-diethoxyphenyl)ethyl]benzamide;hydrochloride
CID 119264756
3-[2-(3,4-diethoxyphenyl)ethyl]-1,1-diphenylurea
CID 1273904

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid (CID 19623434) is 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid is CCOc1ccc(CCNC(=O)c2ccn(CC(=O)O)n2)cc1OCC.
What is the InChIKey of 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is QLACZORIHVRARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-3-25-15-6-5-13(11-16(15)26-4-2)7-9-19-18(24)14-8-10-21(20-14)12-17(22)23/h5-6,8,10-11H,3-4,7,9,12H2,1-2H3,(H,19,24)(H,22,23).
What are the key properties of 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid?
2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 361.40 g/mol, XLogP of 1.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19623434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).