3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine

C13H16ClN3O — CID 82486859

IUPAC3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCCOc1cc(C)c(-c2n[nH]c(C)c2N)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-4-18-11-5-7(2)9(6-10(11)14)13-12(15)8(3)16-17-13/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeyCGIGGDNMFWSWKS-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.33
Rot. Bonds3

About 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine

3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 82486859) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID82486859
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCCOc1cc(C)c(-c2n[nH]c(C)c2N)cc1Cl
InChIInChI=1S/C13H16ClN3O/c1-4-18-11-5-7(2)9(6-10(11)14)13-12(15)8(3)16-17-13/h5-6H,4,15H2,1-3H3,(H,16,17)
InChIKeyCGIGGDNMFWSWKS-UHFFFAOYSA-N
XLogP3.33
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 98022071
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 116826863
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82304282
3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82487457
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylphenol
CID 82490779
4-(5-chloro-4-ethoxy-2-methylphenyl)-2,3,6,7-tetrahydro-1H-azepine
CID 82304319
2-(5-chloro-4-ethoxy-2-methylphenyl)-2-methylpropan-1-amine
CID 82293238
2-(5-chloro-4-ethoxy-2-methylphenyl)-N-methylpropan-2-amine
CID 82293239

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine (CID 82486859) is 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine is CCOc1cc(C)c(-c2n[nH]c(C)c2N)cc1Cl.
What is the InChIKey of 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is CGIGGDNMFWSWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-4-18-11-5-7(2)9(6-10(11)14)13-12(15)8(3)16-17-13/h5-6H,4,15H2,1-3H3,(H,16,17).
What are the key properties of 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine?
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 265.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 82486859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).