5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine

C14H17N3O — CID 82085160

IUPAC5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCOc2ccc3c(c2)CCC3)[nH]n1
InChIInChI=1S/C14H17N3O/c15-14-9-12(16-17-14)6-7-18-13-5-4-10-2-1-3-11(10)8-13/h4-5,8-9H,1-3,6-7H2,(H3,15,16,17)
InChIKeyMMSRALJGVLKUIP-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.10
Rot. Bonds4

About 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine

5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine (PubChem CID 82085160) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine
PubChem CID82085160
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine
SMILESNc1cc(CCOc2ccc3c(c2)CCC3)[nH]n1
InChIInChI=1S/C14H17N3O/c15-14-9-12(16-17-14)6-7-18-13-5-4-10-2-1-3-11(10)8-13/h4-5,8-9H,1-3,6-7H2,(H3,15,16,17)
InChIKeyMMSRALJGVLKUIP-UHFFFAOYSA-N
XLogP2.10
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-1H-pyrazole
CID 82089026
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
4-(2,3-dihydro-1H-inden-5-yloxy)-N'-hydroxybutanimidamide
CID 43212374
6-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-1H-indole
CID 91088145
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-4-methylaniline
CID 39383275
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]-5-methylaniline
CID 39383274
2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethylsulfonyl]ethanamine
CID 28918603
5-[2-(2,4-difluorophenoxy)ethyl]-1H-pyrazol-3-amine
CID 82084245
5-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridin-2-amine
CID 55127792
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine (CID 82085160) is 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine is Nc1cc(CCOc2ccc3c(c2)CCC3)[nH]n1.
What is the InChIKey of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine?
The InChIKey is MMSRALJGVLKUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14-9-12(16-17-14)6-7-18-13-5-4-10-2-1-3-11(10)8-13/h4-5,8-9H,1-3,6-7H2,(H3,15,16,17).
What are the key properties of 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine?
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine has a molecular weight of 243.31 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-1H-pyrazol-3-amine is sourced from PubChem (CID 82085160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).