3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide

C22H23N3O2 — CID 20918159

IUPAC3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC3CCCc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-27-17-12-10-16(11-13-17)20-14-21(25-24-20)22(26)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-14,19H,2,5,7,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyXZWSTSJRJNEICF-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.28
Rot. Bonds5

About 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide

3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 20918159) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID20918159
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NC3CCCc4ccccc43)[nH]n2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-27-17-12-10-16(11-13-17)20-14-21(25-24-20)22(26)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-14,19H,2,5,7,9H2,1H3,(H,23,26)(H,24,25)
InChIKeyXZWSTSJRJNEICF-UHFFFAOYSA-N
XLogP4.28
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-butoxyphenyl)-N-(2,3-dihydro-1H-inden-1-yl)-1H-pyrazole-5-carboxamide
CID 71822324
[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7605781
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 92773019
3-(4-methoxyphenyl)-N'-(1,2,3,4-tetrahydronaphthalene-1-carbonyl)-1H-pyrazole-5-carbohydrazide
CID 78847713
[(2S)-1-oxo-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-(4-ethoxyphenoxy)acetate
CID 7606118
4-(4-ethoxyphenyl)-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]butanamide
CID 7973970
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890819
2-[(R)-[2-(4-ethoxyanilino)-2-oxoethyl]sulfinyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11890821
4-[2-(4-ethoxyanilino)-2-oxoethoxy]-3-methoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4879241
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 28553683
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide (CID 20918159) is 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide is CCOc1ccc(-c2cc(C(=O)NC3CCCc4ccccc43)[nH]n2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is XZWSTSJRJNEICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-27-17-12-10-16(11-13-17)20-14-21(25-24-20)22(26)23-19-9-5-7-15-6-3-4-8-18(15)19/h3-4,6,8,10-14,19H,2,5,7,9H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide?
3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 361.45 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 20918159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).