4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile

C17H20N6O2 — CID 171066883

IUPAC4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1-c1cc(OCCOCCCCN)c2cn[nH]c2c1
InChIInChI=1S/C17H20N6O2/c18-3-1-2-4-24-5-6-25-17-8-12(7-15-14(17)11-21-22-15)13-10-20-23-16(13)9-19/h7-8,10-11H,1-6,18H2,(H,20,23)(H,21,22)
InChIKeyHBQNUVJHCUQKMG-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.96
Rot. Bonds9

About 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile

4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile (PubChem CID 171066883) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile.

Molecular Properties

Compound Name4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile
PubChem CID171066883
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile
SMILESN#Cc1[nH]ncc1-c1cc(OCCOCCCCN)c2cn[nH]c2c1
InChIInChI=1S/C17H20N6O2/c18-3-1-2-4-24-5-6-25-17-8-12(7-15-14(17)11-21-22-15)13-10-20-23-16(13)9-19/h7-8,10-11H,1-6,18H2,(H,20,23)(H,21,22)
InChIKeyHBQNUVJHCUQKMG-UHFFFAOYSA-N
XLogP1.96
TPSA125.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[2-[[6-(5-cyano-1H-pyrazol-4-yl)-1H-indazol-4-yl]oxy]ethoxy]butylamino]methyl]-5-(trifluoromethoxy)benzamide
CID 171067044
2-[3-[[4-[2-[(6-pyridazin-4-yl-1H-indazol-4-yl)oxy]ethoxy]butylamino]methyl]-5-(trifluoromethoxy)phenyl]acetonitrile
CID 171067160
2-[3-[[4-[2-[[6-(1,2-oxazol-4-yl)-1H-indazol-4-yl]oxy]ethoxy]butylamino]methyl]-5-(trifluoromethoxy)phenyl]acetonitrile
CID 171066726
[3-[[4-[2-[[6-(1,2-oxazol-4-yl)-1H-indazol-4-yl]oxy]ethoxy]butylamino]methyl]-5-(trifluoromethyl)phenyl]methanol
CID 171066712
4-[4-[2-[4-[[3-(1H-pyrazol-4-ylamino)-5-(trifluoromethoxy)phenyl]methylamino]butoxy]ethylamino]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile
CID 171067017
4-fluoro-1H-indazole-6-carbonitrile
CID 53399325
N-[[3-(1,3-oxazol-5-ylmethyl)-5-(trifluoromethoxy)phenyl]methyl]-4-[2-[(6-pyridazin-4-yl-1H-indazol-4-yl)oxy]ethoxy]butan-1-amine
CID 171066734
2-[3-[[4-[2-[[6-(thiadiazol-5-yl)-1H-indazol-4-yl]oxy]ethoxy]butylamino]methyl]-5-(trifluoromethoxy)phenyl]ethanol
CID 171066791
6-[2-(3-aminopropoxy)ethoxy]hexan-1-amine
CID 87252227
4-[2-(4-aminobutoxy)ethoxy]butan-1-amine
CID 87873641
11-(11-aminoundecoxy)undecan-1-amine
CID 19099845
5-[2-(2,6-dimethylphenoxy)ethoxy]pentan-1-amine
CID 82353657

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile?
The IUPAC name of 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile (CID 171066883) is 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile.
What is the SMILES notation for 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile?
The canonical SMILES for 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile is N#Cc1[nH]ncc1-c1cc(OCCOCCCCN)c2cn[nH]c2c1.
What is the InChIKey of 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile?
The InChIKey is HBQNUVJHCUQKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c18-3-1-2-4-24-5-6-25-17-8-12(7-15-14(17)11-21-22-15)13-10-20-23-16(13)9-19/h7-8,10-11H,1-6,18H2,(H,20,23)(H,21,22).
What are the key properties of 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile?
4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile has a molecular weight of 340.39 g/mol, XLogP of 1.96, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-aminobutoxy)ethoxy]-1H-indazol-6-yl]-1H-pyrazole-5-carbonitrile is sourced from PubChem (CID 171066883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).