5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine

C12H14ClN3O3 — CID 117455938

IUPAC5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(OC)c(OC)c(-c2cc(N)n[nH]2)c1Cl
InChIInChI=1S/C12H14ClN3O3/c1-17-7-5-8(18-2)12(19-3)10(11(7)13)6-4-9(14)16-15-6/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyJOOXDXFIFMFHCU-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.34
Rot. Bonds4

About 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine

5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 117455938) has the molecular formula C12H14ClN3O3 and a molecular weight of 283.72 g/mol. Its IUPAC name is 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
PubChem CID117455938
Molecular FormulaC12H14ClN3O3
Molecular Weight283.72 g/mol
Exact Mass283.07
IUPAC Name5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(OC)c(OC)c(-c2cc(N)n[nH]2)c1Cl
InChIInChI=1S/C12H14ClN3O3/c1-17-7-5-8(18-2)12(19-3)10(11(7)13)6-4-9(14)16-15-6/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyJOOXDXFIFMFHCU-UHFFFAOYSA-N
XLogP2.34
TPSA82.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117476497
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
5-(3-fluoro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117421240
5-(2,4-dimethoxynaphthalen-1-yl)-1H-pyrazol-3-amine
CID 3452215
5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
5-(3-chloro-2-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117348125
2-(3-amino-1H-pyrazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942315
5-(2-methoxy-3,4,6-trimethylphenyl)-1H-pyrazol-3-amine
CID 115111588
5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117382588
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
CID 117426026

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine (CID 117455938) is 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine is COc1cc(OC)c(OC)c(-c2cc(N)n[nH]2)c1Cl.
What is the InChIKey of 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is JOOXDXFIFMFHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3/c1-17-7-5-8(18-2)12(19-3)10(11(7)13)6-4-9(14)16-15-6/h4-5H,1-3H3,(H3,14,15,16).
What are the key properties of 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine?
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 283.72 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117455938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).