N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine

C23H26N6 — CID 174709101

IUPACN-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine
SMILESCCNn1nc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C23H26N6/c1-2-25-29-22-9-8-18(17-6-4-3-5-7-17)14-21(22)23(27-29)19-15-26-28(16-19)20-10-12-24-13-11-20/h3-9,14-16,20,24-25H,2,10-13H2,1H3
InChIKeyQGAMAIDVVNWIRT-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.05
Rot. Bonds5

About N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine

N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine (PubChem CID 174709101) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine.

Molecular Properties

Compound NameN-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine
PubChem CID174709101
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC NameN-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine
SMILESCCNn1nc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccccc3)ccc21
InChIInChI=1S/C23H26N6/c1-2-25-29-22-9-8-18(17-6-4-3-5-7-17)14-21(22)23(27-29)19-15-26-28(16-19)20-10-12-24-13-11-20/h3-9,14-16,20,24-25H,2,10-13H2,1H3
InChIKeyQGAMAIDVVNWIRT-UHFFFAOYSA-N
XLogP4.05
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine?
The IUPAC name of N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine (CID 174709101) is N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine.
What is the SMILES notation for N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine?
The canonical SMILES for N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine is CCNn1nc(-c2cnn(C3CCNCC3)c2)c2cc(-c3ccccc3)ccc21.
What is the InChIKey of N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine?
The InChIKey is QGAMAIDVVNWIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-2-25-29-22-9-8-18(17-6-4-3-5-7-17)14-21(22)23(27-29)19-15-26-28(16-19)20-10-12-24-13-11-20/h3-9,14-16,20,24-25H,2,10-13H2,1H3.
What are the key properties of N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine?
N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine has a molecular weight of 386.50 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-phenyl-3-(1-piperidin-4-ylpyrazol-4-yl)indazol-1-amine is sourced from PubChem (CID 174709101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).