2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine

C20H20ClN3O2 — CID 118430623

IUPAC2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3
InChIKeyPPNHISOQZXMKKA-UHFFFAOYSA-N
MW369.85 g/mol
LogP5.30
Rot. Bonds6

About 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine

2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine (PubChem CID 118430623) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine.

Molecular Properties

Compound Name2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
PubChem CID118430623
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine
SMILESCCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Cl
InChIInChI=1S/C20H20ClN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3
InChIKeyPPNHISOQZXMKKA-UHFFFAOYSA-N
XLogP5.30
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
The IUPAC name of 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine (CID 118430623) is 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine.
What is the SMILES notation for 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
The canonical SMILES for 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine is CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1Cl.
What is the InChIKey of 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
The InChIKey is PPNHISOQZXMKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-25-20-19(26-17-7-5-4-6-16(17)21)13(2)24(23-20)18-11-10-15(12-22-18)14-8-9-14/h4-7,10-12,14H,3,8-9H2,1-2H3.
What are the key properties of 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine?
2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine has a molecular weight of 369.85 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenoxy)-3-ethoxy-5-methylpyrazol-1-yl]-5-cyclopropylpyridine is sourced from PubChem (CID 118430623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).