4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine

C12H12ClN3O — CID 117377961

IUPAC4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
SMILESCC1Cc2cc(Cl)cc(-c3cn[nH]c3N)c2O1
InChIInChI=1S/C12H12ClN3O/c1-6-2-7-3-8(13)4-9(11(7)17-6)10-5-15-16-12(10)14/h3-6H,2H2,1H3,(H3,14,15,16)
InChIKeyNWRWFVLUCJRDPU-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.64
Rot. Bonds1

About 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine

4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine (PubChem CID 117377961) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
PubChem CID117377961
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine
SMILESCC1Cc2cc(Cl)cc(-c3cn[nH]c3N)c2O1
InChIInChI=1S/C12H12ClN3O/c1-6-2-7-3-8(13)4-9(11(7)17-6)10-5-15-16-12(10)14/h3-6H,2H2,1H3,(H3,14,15,16)
InChIKeyNWRWFVLUCJRDPU-UHFFFAOYSA-N
XLogP2.64
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-chloro-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117347951
5-chloro-7-(2,4-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108325
7-(5-amino-1H-pyrazol-4-yl)-5-chloro-1,3-dihydroindol-2-one
CID 117374889
2-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)ethanamine
CID 83885675
5-chloro-7-(2,3-dimethoxyphenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69181308
4-(7-chloro-4-ethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-5-amine
CID 117418417
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)butan-1-amine
CID 117352257
7-(2,5-dichlorophenyl)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran
CID 69107948
7-(3,5-dichlorophenyl)-2-methyl-2,3-dihydro-1-benzofuran
CID 69108804
(2R)-5-chloro-2-methyl-N-propan-2-yl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 124851061
7-(2,6-dichlorophenyl)-2,5-dimethyl-2,3-dihydro-1-benzofuran
CID 69108438
4-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-5-amine
CID 117382466

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine (CID 117377961) is 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine is CC1Cc2cc(Cl)cc(-c3cn[nH]c3N)c2O1.
What is the InChIKey of 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine?
The InChIKey is NWRWFVLUCJRDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-6-2-7-3-8(13)4-9(11(7)17-6)10-5-15-16-12(10)14/h3-6H,2H2,1H3,(H3,14,15,16).
What are the key properties of 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine?
4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine has a molecular weight of 249.70 g/mol, XLogP of 2.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117377961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).