3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine

C14H17N3O — CID 82085161

IUPAC3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(COc2ccc3c(c2)CCC3)cc1N
InChIInChI=1S/C14H17N3O/c1-17-14(15)8-12(16-17)9-18-13-6-5-10-3-2-4-11(10)7-13/h5-8H,2-4,9,15H2,1H3
InChIKeyMDHPKFXMBDAKMR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.07
Rot. Bonds3

About 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine

3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine (PubChem CID 82085161) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
PubChem CID82085161
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine
SMILESCn1nc(COc2ccc3c(c2)CCC3)cc1N
InChIInChI=1S/C14H17N3O/c1-17-14(15)8-12(16-17)9-18-13-6-5-10-3-2-4-11(10)7-13/h5-8H,2-4,9,15H2,1H3
InChIKeyMDHPKFXMBDAKMR-UHFFFAOYSA-N
XLogP2.07
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chlorophenoxy)methyl]-1-methylpyrazol-5-amine
CID 82083972
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-1,3-thiazol-2-amine
CID 79774116
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridine
CID 79241095
1-[6-(2,3-dihydro-1H-inden-5-yloxymethyl)-2-pyridinyl]-N-methylmethanamine
CID 106908170
3-ethyl-1-methyl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
CID 66015678
5-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridin-2-amine
CID 55127792
7-[(1-methylpyrazol-3-yl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
CID 114090592
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-propylpyrazin-2-amine
CID 103058609
1-methyl-3-propan-2-yl-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrazol-4-amine
CID 66011973
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-(2-methoxyphenyl)triazole
CID 162656317
1-methyl-3-[[2-(trifluoromethyl)phenoxy]methyl]pyrazol-5-amine
CID 117215894
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine (CID 82085161) is 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine is Cn1nc(COc2ccc3c(c2)CCC3)cc1N.
What is the InChIKey of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine?
The InChIKey is MDHPKFXMBDAKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-17-14(15)8-12(16-17)9-18-13-6-5-10-3-2-4-11(10)7-13/h5-8H,2-4,9,15H2,1H3.
What are the key properties of 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine?
3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-inden-5-yloxymethyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 82085161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).