[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol

C21H23N3O — CID 97144056

IUPAC[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCc1nnc(N2CC[C@H](Cc3ccc(CO)cc3)C2)c2ccccc12
InChIInChI=1S/C21H23N3O/c1-15-19-4-2-3-5-20(19)21(23-22-15)24-11-10-18(13-24)12-16-6-8-17(14-25)9-7-16/h2-9,18,25H,10-14H2,1H3/t18-/m1/s1
InChIKeyLDHSFVZLHXVLDL-GOSISDBHSA-N
MW333.44 g/mol
LogP3.50
Rot. Bonds4

About [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol

[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol (PubChem CID 97144056) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
PubChem CID97144056
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol
SMILESCc1nnc(N2CC[C@H](Cc3ccc(CO)cc3)C2)c2ccccc12
InChIInChI=1S/C21H23N3O/c1-15-19-4-2-3-5-20(19)21(23-22-15)24-11-10-18(13-24)12-16-6-8-17(14-25)9-7-16/h2-9,18,25H,10-14H2,1H3/t18-/m1/s1
InChIKeyLDHSFVZLHXVLDL-GOSISDBHSA-N
XLogP3.50
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The IUPAC name of [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol (CID 97144056) is [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The canonical SMILES for [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol is Cc1nnc(N2CC[C@H](Cc3ccc(CO)cc3)C2)c2ccccc12.
What is the InChIKey of [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
The InChIKey is LDHSFVZLHXVLDL-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-19-4-2-3-5-20(19)21(23-22-15)24-11-10-18(13-24)12-16-6-8-17(14-25)9-7-16/h2-9,18,25H,10-14H2,1H3/t18-/m1/s1.
What are the key properties of [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol?
[4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol has a molecular weight of 333.44 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3S)-1-(4-methylphthalazin-1-yl)pyrrolidin-3-yl]methyl]phenyl]methanol is sourced from PubChem (CID 97144056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).