4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine

C12H14ClN3O2 — CID 117422663

IUPAC4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C)c(-c2cn[nH]c2N)c(Cl)c1OC
InChIInChI=1S/C12H14ClN3O2/c1-6-4-8(17-2)11(18-3)10(13)9(6)7-5-15-16-12(7)14/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyYFRMMKBNGUUGKA-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.64
Rot. Bonds3

About 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine

4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117422663) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117422663
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C)c(-c2cn[nH]c2N)c(Cl)c1OC
InChIInChI=1S/C12H14ClN3O2/c1-6-4-8(17-2)11(18-3)10(13)9(6)7-5-15-16-12(7)14/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyYFRMMKBNGUUGKA-UHFFFAOYSA-N
XLogP2.64
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452223
5-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117422703
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
3-(5-amino-1H-pyrazol-4-yl)-5-chloro-4-fluoro-2-methoxyphenol
CID 117397370

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine (CID 117422663) is 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine is COc1cc(C)c(-c2cn[nH]c2N)c(Cl)c1OC.
What is the InChIKey of 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is YFRMMKBNGUUGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-6-4-8(17-2)11(18-3)10(13)9(6)7-5-15-16-12(7)14/h4-5H,1-3H3,(H3,14,15,16).
What are the key properties of 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine has a molecular weight of 267.72 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117422663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).