3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide

C19H19ClN4O2 — CID 46948475

IUPAC3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1cc(C(=O)NCCc2ccncc2)[nH]n1
InChIInChI=1S/C19H19ClN4O2/c1-2-26-18-4-3-14(20)11-15(18)16-12-17(24-23-16)19(25)22-10-7-13-5-8-21-9-6-13/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyAQQUREYEXFLYOP-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.50
Rot. Bonds7

About 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide

3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 46948475) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID46948475
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC Name3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide
SMILESCCOc1ccc(Cl)cc1-c1cc(C(=O)NCCc2ccncc2)[nH]n1
InChIInChI=1S/C19H19ClN4O2/c1-2-26-18-4-3-14(20)11-15(18)16-12-17(24-23-16)19(25)22-10-7-13-5-8-21-9-6-13/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyAQQUREYEXFLYOP-UHFFFAOYSA-N
XLogP3.50
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 20918168
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
N-[2-(3,4-diethoxyphenyl)ethyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46535133
3-phenyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 57383723
1-[2-(4-chlorophenyl)ethyl]-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108891954
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 19510028
4-chloro-5-methyl-N-(2-pyridin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 121499652
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-hydroxy-4,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 667010
3-(5-chloro-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 3313057
3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110676548
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
3-amino-4-ethoxy-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 82070377

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide (CID 46948475) is 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide is CCOc1ccc(Cl)cc1-c1cc(C(=O)NCCc2ccncc2)[nH]n1.
What is the InChIKey of 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AQQUREYEXFLYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-2-26-18-4-3-14(20)11-15(18)16-12-17(24-23-16)19(25)22-10-7-13-5-8-21-9-6-13/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide?
3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-ethoxyphenyl)-N-(2-pyridin-4-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46948475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).