5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

C12H14ClN3O2 — CID 117422695

IUPAC5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(OC)c(Cl)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C12H14ClN3O2/c1-17-6-7-3-11(18-2)9(13)4-8(7)10-5-12(14)16-15-10/h3-5H,6H2,1-2H3,(H3,14,15,16)
InChIKeyHIBJPXRYSGYBKJ-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.47
Rot. Bonds4

About 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine

5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (PubChem CID 117422695) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
PubChem CID117422695
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
SMILESCOCc1cc(OC)c(Cl)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C12H14ClN3O2/c1-17-6-7-3-11(18-2)9(13)4-8(7)10-5-12(14)16-15-10/h3-5H,6H2,1-2H3,(H3,14,15,16)
InChIKeyHIBJPXRYSGYBKJ-UHFFFAOYSA-N
XLogP2.47
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117425195
5-[4-methoxy-3-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117338097
5-[3,4-dimethoxy-5-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412509
5-[2,3-difluoro-4-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117350141
5-(5-chloro-2-ethyl-3-methoxyphenyl)-1H-pyrazol-3-amine
CID 117382588
5-(2-chloro-5-methoxyphenyl)-1H-pyrazol-3-amine
CID 117321002
5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84743751
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
4-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-5-amine
CID 117412553
5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938

Frequently Asked Questions

What is the IUPAC name of 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine (CID 117422695) is 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is COCc1cc(OC)c(Cl)cc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
The InChIKey is HIBJPXRYSGYBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-17-6-7-3-11(18-2)9(13)4-8(7)10-5-12(14)16-15-10/h3-5H,6H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine?
5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine has a molecular weight of 267.72 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 117422695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).