(2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine

C14H17N3O — CID 3045236

IUPAC(2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine
SMILESCOc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2
InChIInChI=1S/C14H17N3O/c1-9(15)8-17-14-11(7-16-17)5-10-3-4-12(18-2)6-13(10)14/h3-4,6-7,9H,5,8,15H2,1-2H3/t9-/m0/s1
InChIKeyFVSRKIVNUPQRFL-VIFPVBQESA-N
MW243.31 g/mol
LogP1.81
Rot. Bonds3

About (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine

(2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine (PubChem CID 3045236) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine
PubChem CID3045236
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name(2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine
SMILESCOc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2
InChIInChI=1S/C14H17N3O/c1-9(15)8-17-14-11(7-16-17)5-10-3-4-12(18-2)6-13(10)14/h3-4,6-7,9H,5,8,15H2,1-2H3/t9-/m0/s1
InChIKeyFVSRKIVNUPQRFL-VIFPVBQESA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine?
The IUPAC name of (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine (CID 3045236) is (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine is COc1ccc2c(c1)-c1c(cnn1C[C@H](C)N)C2.
What is the InChIKey of (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine?
The InChIKey is FVSRKIVNUPQRFL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(15)8-17-14-11(7-16-17)5-10-3-4-12(18-2)6-13(10)14/h3-4,6-7,9H,5,8,15H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine?
(2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine has a molecular weight of 243.31 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(7-methoxy-4H-indeno[2,1-d]pyrazol-1-yl)propan-2-amine is sourced from PubChem (CID 3045236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).