5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

C22H24ClN3O4 — CID 95795220

IUPAC5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C22H24ClN3O4/c1-5-30-18-8-7-15(10-17(18)23)21-16(12-24-26-21)22(27)25-13(2)14-6-9-19(28-3)20(11-14)29-4/h6-13H,5H2,1-4H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyFDZYKFNLLYXLOG-CYBMUJFWSA-N
MW429.90 g/mol
LogP4.64
Rot. Bonds8

About 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 95795220) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID95795220
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl
InChIInChI=1S/C22H24ClN3O4/c1-5-30-18-8-7-15(10-17(18)23)21-16(12-24-26-21)22(27)25-13(2)14-6-9-19(28-3)20(11-14)29-4/h6-13H,5H2,1-4H3,(H,24,26)(H,25,27)/t13-/m1/s1
InChIKeyFDZYKFNLLYXLOG-CYBMUJFWSA-N
XLogP4.64
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1H-indazole-7-carboxamide
CID 46417867
5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 100906875
5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 91641083
5-(3-chloro-4-ethoxyphenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824226
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 95795220) is 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is CCOc1ccc(-c2[nH]ncc2C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)cc1Cl.
What is the InChIKey of 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is FDZYKFNLLYXLOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-5-30-18-8-7-15(10-17(18)23)21-16(12-24-26-21)22(27)25-13(2)14-6-9-19(28-3)20(11-14)29-4/h6-13H,5H2,1-4H3,(H,24,26)(H,25,27)/t13-/m1/s1.
What are the key properties of 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 429.90 g/mol, XLogP of 4.64, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95795220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).