3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

C19H19ClN4O3 — CID 47036298

IUPAC3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOCCOc1ncccc1CNC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C19H19ClN4O3/c1-26-9-10-27-19-13(5-4-8-21-19)12-22-18(25)17-11-16(23-24-17)14-6-2-3-7-15(14)20/h2-8,11H,9-10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJFQUBOYVOWWGRV-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.08
Rot. Bonds8

About 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 47036298) has the molecular formula C19H19ClN4O3 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID47036298
Molecular FormulaC19H19ClN4O3
Molecular Weight386.84 g/mol
Exact Mass386.11
IUPAC Name3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOCCOc1ncccc1CNC(=O)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C19H19ClN4O3/c1-26-9-10-27-19-13(5-4-8-21-19)12-22-18(25)17-11-16(23-24-17)14-6-2-3-7-15(14)20/h2-8,11H,9-10,12H2,1H3,(H,22,25)(H,23,24)
InChIKeyJFQUBOYVOWWGRV-UHFFFAOYSA-N
XLogP3.08
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46920507
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
N-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46857010
5-fluoro-2-iodo-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]benzamide
CID 60616344
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810334
3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
CID 78862068
4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
CID 78879326
1-[(2-ethoxyphenyl)methyl]-3-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111881791
3-(2-chlorophenyl)-N-(2-thiophen-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 46920502
1-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine
CID 110968504
N-[(2-ethoxyphenyl)methyl]-3-naphthalen-1-yl-1H-pyrazole-5-carboxamide
CID 51046553
3-acetyl-N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 56738366

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (CID 47036298) is 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is COCCOc1ncccc1CNC(=O)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JFQUBOYVOWWGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O3/c1-26-9-10-27-19-13(5-4-8-21-19)12-22-18(25)17-11-16(23-24-17)14-6-2-3-7-15(14)20/h2-8,11H,9-10,12H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 386.84 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47036298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).