4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide

C17H15ClN4O3 — CID 131907832

IUPAC4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2nn(C)cc2Cl)cn1
InChIInChI=1S/C17H15ClN4O3/c1-22-10-12(18)16(21-22)17(23)20-11-7-8-15(19-9-11)25-14-6-4-3-5-13(14)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyBFHCSESXAVHMRG-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.52
Rot. Bonds5

About 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide

4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide (PubChem CID 131907832) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide
PubChem CID131907832
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC Name4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide
SMILESCOc1ccccc1Oc1ccc(NC(=O)c2nn(C)cc2Cl)cn1
InChIInChI=1S/C17H15ClN4O3/c1-22-10-12(18)16(21-22)17(23)20-11-7-8-15(19-9-11)25-14-6-4-3-5-13(14)24-2/h3-10H,1-2H3,(H,20,23)
InChIKeyBFHCSESXAVHMRG-UHFFFAOYSA-N
XLogP3.52
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-(2-methoxyphenoxy)-3-pyridinyl]-3-(4-methylsulfanylphenyl)urea
CID 42878494
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CID 131946490
5-chloro-2-(2-methoxyphenoxy)pyridine
CID 66233202
N-[[6-(2,6-dichlorophenoxy)-3-pyridinyl]carbamoyl]-2,6-dimethoxybenzamide
CID 12912829
4-chloro-N-(5-chloro-2-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 3136981
N-[6-(2,6-dimethylphenoxy)-3-pyridinyl]-2-methoxybenzamide
CID 42878469
acetic acid;N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpiperidine-3-carboxamide
CID 163341520
4-chloro-1-methyl-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19263639
5-chloro-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]furan-2-carboxamide
CID 55675140
6-(2-methoxyphenoxy)pyridin-3-ol
CID 91903152
2-(2-methoxyphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 2677021
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CID 114916805

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide (CID 131907832) is 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide is COc1ccccc1Oc1ccc(NC(=O)c2nn(C)cc2Cl)cn1.
What is the InChIKey of 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is BFHCSESXAVHMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-22-10-12(18)16(21-22)17(23)20-11-7-8-15(19-9-11)25-14-6-4-3-5-13(14)24-2/h3-10H,1-2H3,(H,20,23).
What are the key properties of 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide?
4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2-methoxyphenoxy)-3-pyridinyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 131907832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).