5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine

C12H14ClN3O — CID 117382588

IUPAC5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1c(OC)cc(Cl)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C12H14ClN3O/c1-3-8-9(10-6-12(14)16-15-10)4-7(13)5-11(8)17-2/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyFUUZUHJSEFHBDA-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.88
Rot. Bonds3

About 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine

5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117382588) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117382588
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1c(OC)cc(Cl)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C12H14ClN3O/c1-3-8-9(10-6-12(14)16-15-10)4-7(13)5-11(8)17-2/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyFUUZUHJSEFHBDA-UHFFFAOYSA-N
XLogP2.88
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117422695
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002
5-(3-ethyl-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117309562
5-ethyl-4-methoxy-6-methylpyridin-2-amine
CID 118491454
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine (CID 117382588) is 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine is CCc1c(OC)cc(Cl)cc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is FUUZUHJSEFHBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-3-8-9(10-6-12(14)16-15-10)4-7(13)5-11(8)17-2/h4-6H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine?
5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 251.72 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117382588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).