3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine

C14H18ClN3O2 — CID 117476516

IUPAC3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1c(OC)c(OC)cc(Cl)c1-c1cc(N)n(C)n1
InChIInChI=1S/C14H18ClN3O2/c1-5-8-13(10-7-12(16)18(2)17-10)9(15)6-11(19-3)14(8)20-4/h6-7H,5,16H2,1-4H3
InChIKeyNUVNDQOTTMXXRZ-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.90
Rot. Bonds4

About 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine

3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117476516) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117476516
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1c(OC)c(OC)cc(Cl)c1-c1cc(N)n(C)n1
InChIInChI=1S/C14H18ClN3O2/c1-5-8-13(10-7-12(16)18(2)17-10)9(15)6-11(19-3)14(8)20-4/h6-7H,5,16H2,1-4H3
InChIKeyNUVNDQOTTMXXRZ-UHFFFAOYSA-N
XLogP2.90
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine (CID 117476516) is 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine is CCc1c(OC)c(OC)cc(Cl)c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is NUVNDQOTTMXXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-5-8-13(10-7-12(16)18(2)17-10)9(15)6-11(19-3)14(8)20-4/h6-7H,5,16H2,1-4H3.
What are the key properties of 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine?
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 295.77 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117476516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).