4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine

C12H11N3O — CID 117304034

IUPAC4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
SMILESCc1cc2ccc(-c3cn[nH]c3N)cc2o1
InChIInChI=1S/C12H11N3O/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-14-15-12(10)13/h2-6H,1H3,(H3,13,14,15)
InChIKeyOUIKQWCDFBKBOS-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.71
Rot. Bonds1

About 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine

4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine (PubChem CID 117304034) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
PubChem CID117304034
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine
SMILESCc1cc2ccc(-c3cn[nH]c3N)cc2o1
InChIInChI=1S/C12H11N3O/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-14-15-12(10)13/h2-6H,1H3,(H3,13,14,15)
InChIKeyOUIKQWCDFBKBOS-UHFFFAOYSA-N
XLogP2.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305301
4-(1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117288402
5-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-3-amine
CID 117304019
4-(4-bromo-3-methylphenyl)-1H-pyrazol-5-amine
CID 117383094
4-(1,2-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117289185
4-(7-methoxy-2-methyl-1-benzofuran-5-yl)-1H-pyrazol-5-amine
CID 117359619
4-(2-methyl-1,3-benzothiazol-6-yl)-1H-pyrazol-5-amine
CID 117332699
4-(2-cyclopropyl-1,3-benzoxazol-5-yl)-1H-pyrazol-5-amine
CID 117353133
3-(2-methyl-1-benzofuran-6-yl)-1H-pyrazole-5-carboxylic acid
CID 117357206
ethane;2-methyl-1-benzofuran-6-amine
CID 168913967
4-(4-bromophenyl)-1H-pyrazol-5-amine
CID 17390115
4-(2,3-dimethyl-1-benzothiophen-6-yl)-1H-pyrazol-5-amine
CID 117360675

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine (CID 117304034) is 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine is Cc1cc2ccc(-c3cn[nH]c3N)cc2o1.
What is the InChIKey of 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine?
The InChIKey is OUIKQWCDFBKBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-4-9-3-2-8(5-11(9)16-7)10-6-14-15-12(10)13/h2-6H,1H3,(H3,13,14,15).
What are the key properties of 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine?
4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine has a molecular weight of 213.24 g/mol, XLogP of 2.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1-benzofuran-6-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117304034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).