4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine

C12H12ClN3O2 — CID 117418417

IUPAC4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
SMILESCCc1c(-c2cn[nH]c2N)cc(Cl)c2c1OCO2
InChIInChI=1S/C12H12ClN3O2/c1-2-6-7(8-4-15-16-12(8)14)3-9(13)11-10(6)17-5-18-11/h3-4H,2,5H2,1H3,(H3,14,15,16)
InChIKeyIIDJGDRWMMPNPO-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.60
Rot. Bonds2

About 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine

4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine (PubChem CID 117418417) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
PubChem CID117418417
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
SMILESCCc1c(-c2cn[nH]c2N)cc(Cl)c2c1OCO2
InChIInChI=1S/C12H12ClN3O2/c1-2-6-7(8-4-15-16-12(8)14)3-9(13)11-10(6)17-5-18-11/h3-4H,2,5H2,1H3,(H3,14,15,16)
InChIKeyIIDJGDRWMMPNPO-UHFFFAOYSA-N
XLogP2.60
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-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

4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
4-(8-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-pyrazol-5-amine
CID 117401942
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117382466
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
CID 117377961
[1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropyl]methanamine
CID 117387373
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
4-(3-chloro-5-ethyl-4-fluorophenyl)-1H-pyrazol-5-amine
CID 117351847
1-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)cyclopropan-1-amine
CID 84799985
4-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452228
5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
CID 117311798
3-(9-chloro-6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,2-oxazol-5-amine
CID 117475313
(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)methanesulfonyl chloride
CID 117478452

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine (CID 117418417) is 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine is CCc1c(-c2cn[nH]c2N)cc(Cl)c2c1OCO2.
What is the InChIKey of 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
The InChIKey is IIDJGDRWMMPNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-2-6-7(8-4-15-16-12(8)14)3-9(13)11-10(6)17-5-18-11/h3-4H,2,5H2,1H3,(H3,14,15,16).
What are the key properties of 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine?
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine has a molecular weight of 265.70 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117418417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).