1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol

C16H22N4O — CID 63944869

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2Cc3ccccc3C2)c(C)c1N
InChIInChI=1S/C16H22N4O/c1-11-16(17)12(2)20(18-11)10-15(21)9-19-7-13-5-3-4-6-14(13)8-19/h3-6,15,21H,7-10,17H2,1-2H3
InChIKeyNVWPXIXOALANST-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.46
Rot. Bonds4

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol (PubChem CID 63944869) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol
PubChem CID63944869
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2Cc3ccccc3C2)c(C)c1N
InChIInChI=1S/C16H22N4O/c1-11-16(17)12(2)20(18-11)10-15(21)9-19-7-13-5-3-4-6-14(13)8-19/h3-6,15,21H,7-10,17H2,1-2H3
InChIKeyNVWPXIXOALANST-UHFFFAOYSA-N
XLogP1.46
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol (CID 63944869) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol is Cc1nn(CC(O)CN2Cc3ccccc3C2)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol?
The InChIKey is NVWPXIXOALANST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-16(17)12(2)20(18-11)10-15(21)9-19-7-13-5-3-4-6-14(13)8-19/h3-6,15,21H,7-10,17H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol has a molecular weight of 286.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol is sourced from PubChem (CID 63944869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).