(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol

C19H22N4O — CID 137413027

IUPAC(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol
SMILESCCCn1nccc1[C@H](O)[C@@H](C)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C19H22N4O/c1-3-10-23-16(8-9-21-23)19(24)13(2)18-15-7-5-4-6-14(15)17-11-20-12-22(17)18/h4-9,11-13,18-19,24H,3,10H2,1-2H3/t13-,18-,19+/m0/s1
InChIKeyKFHKDJUEFNXSHT-FASAQXTFSA-N
MW322.41 g/mol
LogP3.43
Rot. Bonds5

About (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol

(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol (PubChem CID 137413027) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol
PubChem CID137413027
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol
SMILESCCCn1nccc1[C@H](O)[C@@H](C)[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C19H22N4O/c1-3-10-23-16(8-9-21-23)19(24)13(2)18-15-7-5-4-6-14(15)17-11-20-12-22(17)18/h4-9,11-13,18-19,24H,3,10H2,1-2H3/t13-,18-,19+/m0/s1
InChIKeyKFHKDJUEFNXSHT-FASAQXTFSA-N
XLogP3.43
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol?
The IUPAC name of (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol (CID 137413027) is (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol is CCCn1nccc1[C@H](O)[C@@H](C)[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol?
The InChIKey is KFHKDJUEFNXSHT-FASAQXTFSA-N. The full InChI is InChI=1S/C19H22N4O/c1-3-10-23-16(8-9-21-23)19(24)13(2)18-15-7-5-4-6-14(15)17-11-20-12-22(17)18/h4-9,11-13,18-19,24H,3,10H2,1-2H3/t13-,18-,19+/m0/s1.
What are the key properties of (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol?
(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol has a molecular weight of 322.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(2-propylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 137413027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).