2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline

C18H19N3O — CID 54852189

IUPAC2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCCCOc1ccccc1-c1cc(-c2ccccc2N)[nH]n1
InChIInChI=1S/C18H19N3O/c1-2-11-22-18-10-6-4-8-14(18)17-12-16(20-21-17)13-7-3-5-9-15(13)19/h3-10,12H,2,11,19H2,1H3,(H,20,21)
InChIKeyCVCGSHIAHGKRGV-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.11
Rot. Bonds5

About 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline

2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline (PubChem CID 54852189) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline.

Molecular Properties

Compound Name2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
PubChem CID54852189
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline
SMILESCCCOc1ccccc1-c1cc(-c2ccccc2N)[nH]n1
InChIInChI=1S/C18H19N3O/c1-2-11-22-18-10-6-4-8-14(18)17-12-16(20-21-17)13-7-3-5-9-15(13)19/h3-10,12H,2,11,19H2,1H3,(H,20,21)
InChIKeyCVCGSHIAHGKRGV-UHFFFAOYSA-N
XLogP4.11
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-3-(2-propoxyphenyl)-1H-pyridazin-6-one
CID 82445862
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408
2-[3-(4-methylphenyl)-1H-pyrazol-5-yl]aniline
CID 10682079
N-[[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 54847214
3-[5-(2-ethoxyphenyl)-1H-pyrazol-3-yl]aniline
CID 54852298
[3-(2-hexoxyphenyl)-1H-pyrazol-5-yl]methanol
CID 54847198
2-[3-[3-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54852372
4-[[3-(2-heptoxyphenyl)-1H-pyrazol-5-yl]methoxy]aniline
CID 54852118
3-(2-butoxyphenyl)-N-hydroxy-1H-pyrazole-5-carboxamide
CID 71601259
5-azido-3-(2-ethoxyphenyl)-1H-pyrazole
CID 136926399
4-(2-propoxyphenyl)-2H-phthalazine-1-thione
CID 106521565
6-(2-propoxyphenyl)-1H-pyrimidine-4-thione
CID 106521585

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline?
The IUPAC name of 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline (CID 54852189) is 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline.
What is the SMILES notation for 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline?
The canonical SMILES for 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline is CCCOc1ccccc1-c1cc(-c2ccccc2N)[nH]n1.
What is the InChIKey of 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline?
The InChIKey is CVCGSHIAHGKRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-11-22-18-10-6-4-8-14(18)17-12-16(20-21-17)13-7-3-5-9-15(13)19/h3-10,12H,2,11,19H2,1H3,(H,20,21).
What are the key properties of 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline?
2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline has a molecular weight of 293.37 g/mol, XLogP of 4.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-propoxyphenyl)-1H-pyrazol-5-yl]aniline is sourced from PubChem (CID 54852189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).