(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine

C13H12ClN3O — CID 106758771

IUPAC(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C13H12ClN3O/c1-17-10(5-6-16-17)13(15)12-7-8-9(14)3-2-4-11(8)18-12/h2-7,13H,15H2,1H3
InChIKeyUHAAMZIXBXKJJD-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.87
Rot. Bonds2

About (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine

(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine (PubChem CID 106758771) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
PubChem CID106758771
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC Name(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
SMILESCn1nccc1C(N)c1cc2c(Cl)cccc2o1
InChIInChI=1S/C13H12ClN3O/c1-17-10(5-6-16-17)13(15)12-7-8-9(14)3-2-4-11(8)18-12/h2-7,13H,15H2,1H3
InChIKeyUHAAMZIXBXKJJD-UHFFFAOYSA-N
XLogP2.87
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine 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-chloro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanamine
CID 113277074
(4-chloro-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 114321377
(3-chlorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 63963062
(4-chloro-1-benzofuran-2-yl)-(4-chlorophenyl)methanamine
CID 114321372
(4-chloro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 114321381
(4-bromophenyl)-(4-chloro-1-benzofuran-2-yl)methanamine
CID 114321349
(7-methyl-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine
CID 105185597
furan-2-yl-(2-methylpyrazol-3-yl)methanamine
CID 63962037
(4-chloro-1-benzofuran-2-yl)-(2-chloro-4-fluorophenyl)methanamine
CID 114321348
(4-chloro-2,5-difluorophenyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858401
2-(4-chloro-1-benzofuran-2-yl)propan-1-amine
CID 117119913
4-[amino-(4-chloro-1-benzofuran-2-yl)methyl]benzonitrile
CID 114321373

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The IUPAC name of (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine (CID 106758771) is (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine is Cn1nccc1C(N)c1cc2c(Cl)cccc2o1.
What is the InChIKey of (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
The InChIKey is UHAAMZIXBXKJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-17-10(5-6-16-17)13(15)12-7-8-9(14)3-2-4-11(8)18-12/h2-7,13H,15H2,1H3.
What are the key properties of (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine?
(4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine has a molecular weight of 261.71 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-benzofuran-2-yl)-(2-methylpyrazol-3-yl)methanamine is sourced from PubChem (CID 106758771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).