[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

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Related Compounds

1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 43517082
N-methyl-1-(4-methylphthalazin-1-yl)pyrrolidin-3-amine
CID 113282080
1-(3-bromo-4-methylpiperidin-1-yl)-4-methylphthalazine
CID 102961043
N-methyl-1-(4-methylphthalazin-1-yl)piperidin-4-amine
CID 54923632
2-[1-(4-methylphthalazin-1-yl)piperidin-4-yl]-1-thiomorpholin-4-ylethanone
CID 171994690
1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
CID 113418390
1-methyl-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]phthalazine
CID 154581188
(3S,4S)-3-(hydroxymethyl)-1-(4-methylphthalazin-1-yl)-3-propylpiperidin-4-ol
CID 155507875
[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 97205943
3-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944879
[4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 61337016
N,1-dimethyl-N-[[1-(4-methylphthalazin-1-yl)piperidin-4-yl]methyl]imidazole-4-carboxamide
CID 172881912

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).