5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine

C14H18ClN3O2 — CID 117476497

IUPAC5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(C(C)C)c(Cl)c(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C14H18ClN3O2/c1-7(2)8-5-10(19-3)14(20-4)12(13(8)15)9-6-11(16)18-17-9/h5-7H,1-4H3,(H3,16,17,18)
InChIKeyYZWBKPPUFBMPLO-UHFFFAOYSA-N
MW295.77 g/mol
LogP3.45
Rot. Bonds4

About 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine

5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine (PubChem CID 117476497) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
PubChem CID117476497
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(C(C)C)c(Cl)c(-c2cc(N)n[nH]2)c1OC
InChIInChI=1S/C14H18ClN3O2/c1-7(2)8-5-10(19-3)14(20-4)12(13(8)15)9-6-11(16)18-17-9/h5-7H,1-4H3,(H3,16,17,18)
InChIKeyYZWBKPPUFBMPLO-UHFFFAOYSA-N
XLogP3.45
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-chloro-3,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455938
5-(3-chloro-2,5,6-trimethoxyphenyl)-1H-pyrazol-3-amine
CID 117455942
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
4-chloro-1,3-dimethoxy-2-methyl-5-propan-2-ylbenzene
CID 167036227
5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
CID 117426026
5-(6-chloro-5-methoxy-1,2-dimethylindol-3-yl)-1H-pyrazol-3-amine
CID 84743751
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
2-amino-1-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)ethanone
CID 117432238

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine (CID 117476497) is 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine is COc1cc(C(C)C)c(Cl)c(-c2cc(N)n[nH]2)c1OC.
What is the InChIKey of 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The InChIKey is YZWBKPPUFBMPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-7(2)8-5-10(19-3)14(20-4)12(13(8)15)9-6-11(16)18-17-9/h5-7H,1-4H3,(H3,16,17,18).
What are the key properties of 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine?
5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine has a molecular weight of 295.77 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5,6-dimethoxy-3-propan-2-ylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117476497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).