5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine

C18H16N4 — CID 139030488

IUPAC5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3ccn(Cc4ccccc4)c3c2)[nH]n1
InChIInChI=1S/C18H16N4/c19-18-11-16(20-21-18)15-7-6-14-8-9-22(17(14)10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H3,19,20,21)
InChIKeyIXGUTMYAJBKSPV-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.66
Rot. Bonds3

About 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine

5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine (PubChem CID 139030488) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine
PubChem CID139030488
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2ccc3ccn(Cc4ccccc4)c3c2)[nH]n1
InChIInChI=1S/C18H16N4/c19-18-11-16(20-21-18)15-7-6-14-8-9-22(17(14)10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H3,19,20,21)
InChIKeyIXGUTMYAJBKSPV-UHFFFAOYSA-N
XLogP3.66
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzylindol-6-amine
CID 69325204
5-(4-benzylphenyl)-1H-pyrazol-3-amine
CID 3651142
1-benzyl-6-[4-(trifluoromethyl)phenyl]indole
CID 22032920
4-(1-benzylindol-6-yl)-3,5-dimethyl-1,2-oxazole
CID 156790239
1,2-bis(1-benzylindol-6-yl)hydrazine
CID 69325205
3-[[6-[1-[(4-phenylphenyl)methyl]indol-6-yl]indol-1-yl]methyl]benzoic acid
CID 90682150
1-benzyl-6-chloropyrrolo[3,2-c]pyridine
CID 166174008
6-(1H-indol-6-yl)-1-(naphthalen-2-ylmethyl)indole
CID 56851732
5-(3-ethylphenyl)-1H-pyrazol-3-amine
CID 117280888
2-N-[(1-benzylindol-6-yl)methylideneamino]-1,3-thiazole-2,4-diamine
CID 168626932
3-(1-benzylindol-6-yl)propanoic acid
CID 54376010
[4-(indol-1-ylmethyl)phenyl]methanamine
CID 43134818

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine (CID 139030488) is 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine is Nc1cc(-c2ccc3ccn(Cc4ccccc4)c3c2)[nH]n1.
What is the InChIKey of 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine?
The InChIKey is IXGUTMYAJBKSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c19-18-11-16(20-21-18)15-7-6-14-8-9-22(17(14)10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H3,19,20,21).
What are the key properties of 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine?
5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine has a molecular weight of 288.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzylindol-6-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 139030488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).