N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine

C22H26N4 — CID 167770548

IUPACN-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine
SMILESCCN1CCc2cc(CNCc3cnn(Cc4ccccc4)c3)ccc21
InChIInChI=1S/C22H26N4/c1-2-25-11-10-21-12-19(8-9-22(21)25)13-23-14-20-15-24-26(17-20)16-18-6-4-3-5-7-18/h3-9,12,15,17,23H,2,10-11,13-14,16H2,1H3
InChIKeyLUVUXNAXJHGJJS-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.60
Rot. Bonds7

About N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine

N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine (PubChem CID 167770548) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine
PubChem CID167770548
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC NameN-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine
SMILESCCN1CCc2cc(CNCc3cnn(Cc4ccccc4)c3)ccc21
InChIInChI=1S/C22H26N4/c1-2-25-11-10-21-12-19(8-9-22(21)25)13-23-14-20-15-24-26(17-20)16-18-6-4-3-5-7-18/h3-9,12,15,17,23H,2,10-11,13-14,16H2,1H3
InChIKeyLUVUXNAXJHGJJS-UHFFFAOYSA-N
XLogP3.60
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine?
The IUPAC name of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine (CID 167770548) is N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine.
What is the SMILES notation for N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine?
The canonical SMILES for N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine is CCN1CCc2cc(CNCc3cnn(Cc4ccccc4)c3)ccc21.
What is the InChIKey of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine?
The InChIKey is LUVUXNAXJHGJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-2-25-11-10-21-12-19(8-9-22(21)25)13-23-14-20-15-24-26(17-20)16-18-6-4-3-5-7-18/h3-9,12,15,17,23H,2,10-11,13-14,16H2,1H3.
What are the key properties of N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine?
N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine has a molecular weight of 346.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpyrazol-4-yl)methyl]-1-(1-ethyl-2,3-dihydroindol-5-yl)methanamine is sourced from PubChem (CID 167770548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).