(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

C18H25N3O — CID 129412226

IUPAC(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1ccc2c(c1)[C@H](NC[C@](C)(O)c1cnn(C)c1)[C@H](C)C2
InChIInChI=1S/C18H25N3O/c1-12-5-6-14-8-13(2)17(16(14)7-12)19-11-18(3,22)15-9-20-21(4)10-15/h5-7,9-10,13,17,19,22H,8,11H2,1-4H3/t13-,17-,18+/m1/s1
InChIKeyFAMGKBHDCRKQRU-XWIAVFTESA-N
MW299.42 g/mol
LogP2.46
Rot. Bonds4

About (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol

(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (PubChem CID 129412226) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
PubChem CID129412226
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
SMILESCc1ccc2c(c1)[C@H](NC[C@](C)(O)c1cnn(C)c1)[C@H](C)C2
InChIInChI=1S/C18H25N3O/c1-12-5-6-14-8-13(2)17(16(14)7-12)19-11-18(3,22)15-9-20-21(4)10-15/h5-7,9-10,13,17,19,22H,8,11H2,1-4H3/t13-,17-,18+/m1/s1
InChIKeyFAMGKBHDCRKQRU-XWIAVFTESA-N
XLogP2.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The IUPAC name of (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol (CID 129412226) is (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol.
What is the SMILES notation for (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The canonical SMILES for (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is Cc1ccc2c(c1)[C@H](NC[C@](C)(O)c1cnn(C)c1)[C@H](C)C2.
What is the InChIKey of (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
The InChIKey is FAMGKBHDCRKQRU-XWIAVFTESA-N. The full InChI is InChI=1S/C18H25N3O/c1-12-5-6-14-8-13(2)17(16(14)7-12)19-11-18(3,22)15-9-20-21(4)10-15/h5-7,9-10,13,17,19,22H,8,11H2,1-4H3/t13-,17-,18+/m1/s1.
What are the key properties of (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol?
(2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol has a molecular weight of 299.42 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[(1R,2R)-2,6-dimethyl-2,3-dihydro-1H-inden-1-yl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol is sourced from PubChem (CID 129412226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).