N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide

C19H16ClN5O2 — CID 57403630

IUPACN-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(C)nn(-c3ccc(C#N)c(Cl)c3)c2C)nc1
InChIInChI=1S/C19H16ClN5O2/c1-11-19(27-18-7-5-15(10-22-18)23-13(3)26)12(2)25(24-11)16-6-4-14(9-21)17(20)8-16/h4-8,10H,1-3H3,(H,23,26)
InChIKeyASDXIYXXKOHKBW-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.16
Rot. Bonds4

About N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide

N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide (PubChem CID 57403630) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide
PubChem CID57403630
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(C)nn(-c3ccc(C#N)c(Cl)c3)c2C)nc1
InChIInChI=1S/C19H16ClN5O2/c1-11-19(27-18-7-5-15(10-22-18)23-13(3)26)12(2)25(24-11)16-6-4-14(9-21)17(20)8-16/h4-8,10H,1-3H3,(H,23,26)
InChIKeyASDXIYXXKOHKBW-UHFFFAOYSA-N
XLogP4.16
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-((1-(3-chloro-4-cyanophenyl)-3,5-dimethyl-1H-pyrazol-4-yl)oxy)pyridin-3-yl)-2,2-dimethylpropanamide
CID 44240609
N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide
CID 57391422
N-tert-butyl-6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxypyridine-3-carboxamide
CID 168287011
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(2-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157031
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(5-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157041
N-[(2-chloro-4-fluorophenyl)methyl]-2-[1-(6-methoxy-3-pyridinyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 58157053
N-[3-[3-(1-benzylpyrazol-4-yl)pyrazin-2-yl]oxyphenyl]acetamide
CID 172435693
6-Chloro-2,3-dihydro-5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-1H-indole-1-carboxyamide dihydrochloride
CID 129849562
2-Chloro-4-[3,5-dimethyl-4-[[5-(trifluoromethyl)pyridin-2-yl]oxymethyl]pyrazol-1-yl]benzonitrile
CID 57926563
2-Chloro-4-[3,5-dimethyl-4-[[6-(trifluoromethyl)pyridin-3-yl]methoxy]pyrazol-1-yl]benzonitrile
CID 57926666
4-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-N-[6-(trifluoromethyl)pyridin-3-yl]benzamide
CID 57926825
2-Chloro-4-[3,5-dimethyl-4-(pyridin-4-ylmethoxy)pyrazol-1-yl]benzonitrile;2,2,2-trifluoroacetic acid
CID 68969563

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide?
The IUPAC name of N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide (CID 57403630) is N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide.
What is the SMILES notation for N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide?
The canonical SMILES for N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide is CC(=O)Nc1ccc(Oc2c(C)nn(-c3ccc(C#N)c(Cl)c3)c2C)nc1.
What is the InChIKey of N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide?
The InChIKey is ASDXIYXXKOHKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-11-19(27-18-7-5-15(10-22-18)23-13(3)26)12(2)25(24-11)16-6-4-14(9-21)17(20)8-16/h4-8,10H,1-3H3,(H,23,26).
What are the key properties of N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide?
N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide has a molecular weight of 381.82 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-3-pyridinyl]acetamide is sourced from PubChem (CID 57403630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).