4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine

C10H8ClN3O2 — CID 117347951

IUPAC4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(Cl)cc2c1OCO2
InChIInChI=1S/C10H8ClN3O2/c11-5-1-6(7-3-13-14-10(7)12)9-8(2-5)15-4-16-9/h1-3H,4H2,(H3,12,13,14)
InChIKeyQTRNTJRQCIBKPM-UHFFFAOYSA-N
MW237.65 g/mol
LogP2.04
Rot. Bonds1

About 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine

4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine (PubChem CID 117347951) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
PubChem CID117347951
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(Cl)cc2c1OCO2
InChIInChI=1S/C10H8ClN3O2/c11-5-1-6(7-3-13-14-10(7)12)9-8(2-5)15-4-16-9/h1-3H,4H2,(H3,12,13,14)
InChIKeyQTRNTJRQCIBKPM-UHFFFAOYSA-N
XLogP2.04
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(6-chloro-1,3-benzodioxol-4-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)-1,2-oxazol-5-amine
CID 117349722
5-(5-amino-1H-pyrazol-4-yl)-1,3-benzodioxol-4-ol
CID 117311798
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
CID 117377961
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
5-(6-chloro-1,3-benzodioxol-4-yl)-1,2-oxazol-3-amine
CID 117349709
4-(4-methoxy-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117337608
4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117380453
4-(4-methylsulfonyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117451305
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117382466
4-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-5-amine
CID 117455930
4-(5-chloro-6-propan-2-yl-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117473927
7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
CID 117374889

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine (CID 117347951) is 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cc(Cl)cc2c1OCO2.
What is the InChIKey of 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
The InChIKey is QTRNTJRQCIBKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-5-1-6(7-3-13-14-10(7)12)9-8(2-5)15-4-16-9/h1-3H,4H2,(H3,12,13,14).
What are the key properties of 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine?
4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine has a molecular weight of 237.65 g/mol, XLogP of 2.04, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117347951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).