N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine

C19H24N4O2 — CID 99781367

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
SMILESC[C@@H](Nc1cnn(CCN2CCOCC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H24N4O2/c1-15(19-12-16-4-2-3-5-18(16)25-19)21-17-13-20-23(14-17)7-6-22-8-10-24-11-9-22/h2-5,12-15,21H,6-11H2,1H3/t15-/m1/s1
InChIKeyZEYMIJRXYBJZHR-OAHLLOKOSA-N
MW340.43 g/mol
LogP3.13
Rot. Bonds6

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine (PubChem CID 99781367) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
PubChem CID99781367
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
SMILESC[C@@H](Nc1cnn(CCN2CCOCC2)c1)c1cc2ccccc2o1
InChIInChI=1S/C19H24N4O2/c1-15(19-12-16-4-2-3-5-18(16)25-19)21-17-13-20-23(14-17)7-6-22-8-10-24-11-9-22/h2-5,12-15,21H,6-11H2,1H3/t15-/m1/s1
InChIKeyZEYMIJRXYBJZHR-OAHLLOKOSA-N
XLogP3.13
TPSA55.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine (CID 99781367) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine is C[C@@H](Nc1cnn(CCN2CCOCC2)c1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
The InChIKey is ZEYMIJRXYBJZHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15(19-12-16-4-2-3-5-18(16)25-19)21-17-13-20-23(14-17)7-6-22-8-10-24-11-9-22/h2-5,12-15,21H,6-11H2,1H3/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine has a molecular weight of 340.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine is sourced from PubChem (CID 99781367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).