(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol

C14H15N3O2 — CID 114726654

IUPAC(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cnn(C)c3N)cc2c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-11-9(5-8)6-12(19-11)13(18)10-7-16-17(2)14(10)15/h3-7,13,18H,15H2,1-2H3
InChIKeyWCRWGMIZQLXUEA-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.14
Rot. Bonds2

About (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol

(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 114726654) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID114726654
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)c3cnn(C)c3N)cc2c1
InChIInChI=1S/C14H15N3O2/c1-8-3-4-11-9(5-8)6-12(19-11)13(18)10-7-16-17(2)14(10)15/h3-7,13,18H,15H2,1-2H3
InChIKeyWCRWGMIZQLXUEA-UHFFFAOYSA-N
XLogP2.14
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanol
CID 114724197
(5-amino-1-methylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 65362027
(2,3-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723556
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
furan-3-yl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114723617
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628
1-(5-amino-1-methylpyrazol-4-yl)-2-(2,5-dimethylphenyl)ethanol
CID 65362512
(2-bromo-4-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 115836356
(5-chloro-1-benzofuran-2-yl)-(2-chloro-4-methylphenyl)methanol
CID 106859550
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-1-(5-methyl-1-benzofuran-2-yl)methanamine
CID 105189766
[1-(5-methyl-1-benzofuran-2-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105316478
(5-methyl-1-benzofuran-2-yl)-(1-propylimidazol-2-yl)methanol
CID 105098446

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol (CID 114726654) is (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)c3cnn(C)c3N)cc2c1.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is WCRWGMIZQLXUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-3-4-11-9(5-8)6-12(19-11)13(18)10-7-16-17(2)14(10)15/h3-7,13,18H,15H2,1-2H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol?
(5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 257.29 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 114726654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).