5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H17ClN6O3 — CID 56760280

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCCn3ccnn3)n[nH]2)c(Cl)c1
InChIInChI=1S/C16H17ClN6O3/c1-25-12-2-3-15(13(17)9-12)26-10-11-8-14(21-20-11)16(24)18-4-6-23-7-5-19-22-23/h2-3,5,7-9H,4,6,10H2,1H3,(H,18,24)(H,20,21)
InChIKeyVDDARWKLPXIMND-UHFFFAOYSA-N
MW376.80 g/mol
LogP1.67
Rot. Bonds8

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 56760280) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID56760280
Molecular FormulaC16H17ClN6O3
Molecular Weight376.80 g/mol
Exact Mass376.11
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCCn3ccnn3)n[nH]2)c(Cl)c1
InChIInChI=1S/C16H17ClN6O3/c1-25-12-2-3-15(13(17)9-12)26-10-11-8-14(21-20-11)16(24)18-4-6-23-7-5-19-22-23/h2-3,5,7-9H,4,6,10H2,1H3,(H,18,24)(H,20,21)
InChIKeyVDDARWKLPXIMND-UHFFFAOYSA-N
XLogP1.67
TPSA106.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-acetamidoethyl)-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56747146
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-4-hydroxybutan-2-yl]-1H-pyrazole-3-carboxamide
CID 95394193
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1H-pyrazole-3-carboxamide
CID 56872792
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56754413
N-[(2R)-butan-2-yl]-5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42197499
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(3R)-2-oxopyrrolidin-3-yl]-1H-pyrazole-3-carboxamide
CID 95199427
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-thiomorpholin-4-ylmethanone
CID 25285402
6-oxo-N-[2-(triazol-1-yl)ethyl]-1H-pyridazine-3-carboxamide
CID 113375229
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
N-(3-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56760151
5-[(2-methoxyphenoxy)methyl]-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 56759334
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24819558

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 56760280) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCCn3ccnn3)n[nH]2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VDDARWKLPXIMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN6O3/c1-25-12-2-3-15(13(17)9-12)26-10-11-8-14(21-20-11)16(24)18-4-6-23-7-5-19-22-23/h2-3,5,7-9H,4,6,10H2,1H3,(H,18,24)(H,20,21).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 376.80 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56760280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).