N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine

C17H21N3O — CID 62904419

IUPACN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1c(C(C)Nc2cnn(C(C)C)c2)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-11(2)20-10-14(9-18-20)19-13(4)17-12(3)15-7-5-6-8-16(15)21-17/h5-11,13,19H,1-4H3
InChIKeyIPIFBERRDUVFKI-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.69
Rot. Bonds4

About N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine

N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 62904419) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID62904419
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1c(C(C)Nc2cnn(C(C)C)c2)oc2ccccc12
InChIInChI=1S/C17H21N3O/c1-11(2)20-10-14(9-18-20)19-13(4)17-12(3)15-7-5-6-8-16(15)21-17/h5-11,13,19H,1-4H3
InChIKeyIPIFBERRDUVFKI-UHFFFAOYSA-N
XLogP4.69
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine (CID 62904419) is N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine is Cc1c(C(C)Nc2cnn(C(C)C)c2)oc2ccccc12.
What is the InChIKey of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is IPIFBERRDUVFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11(2)20-10-14(9-18-20)19-13(4)17-12(3)15-7-5-6-8-16(15)21-17/h5-11,13,19H,1-4H3.
What are the key properties of N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 283.38 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 62904419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).