N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide

C19H16ClN5O2 — CID 57391422

IUPACN-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(C)nn(-c3ccc(C#N)c(Cl)c3)c2C)cn1
InChIInChI=1S/C19H16ClN5O2/c1-11-19(27-16-6-7-18(22-10-16)23-13(3)26)12(2)25(24-11)15-5-4-14(9-21)17(20)8-15/h4-8,10H,1-3H3,(H,22,23,26)
InChIKeyFLZCQJTYQLNSBX-UHFFFAOYSA-N
MW381.82 g/mol
LogP4.16
Rot. Bonds4

About N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide

N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide (PubChem CID 57391422) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide
PubChem CID57391422
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC NameN-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2c(C)nn(-c3ccc(C#N)c(Cl)c3)c2C)cn1
InChIInChI=1S/C19H16ClN5O2/c1-11-19(27-16-6-7-18(22-10-16)23-13(3)26)12(2)25(24-11)15-5-4-14(9-21)17(20)8-15/h4-8,10H,1-3H3,(H,22,23,26)
InChIKeyFLZCQJTYQLNSBX-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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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide (CID 57391422) is N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1ccc(Oc2c(C)nn(-c3ccc(C#N)c(Cl)c3)c2C)cn1.
What is the InChIKey of N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is FLZCQJTYQLNSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-11-19(27-16-6-7-18(22-10-16)23-13(3)26)12(2)25(24-11)15-5-4-14(9-21)17(20)8-15/h4-8,10H,1-3H3,(H,22,23,26).
What are the key properties of N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide?
N-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-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-[5-[1-(3-chloro-4-cyanophenyl)-3,5-dimethylpyrazol-4-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 57391422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).