(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

C20H24N4O — CID 134696666

IUPAC(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESCCc1cc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)[nH]n1
InChIInChI=1S/C20H24N4O/c1-2-16-10-18(23-22-16)12-24-11-15(20(25)13-24)9-17-8-7-14-5-3-4-6-19(14)21-17/h3-8,10,15,20,25H,2,9,11-13H2,1H3,(H,22,23)/t15-,20-/m1/s1
InChIKeyLVOKIPJMIDORMZ-FOIQADDNSA-N
MW336.44 g/mol
LogP2.56
Rot. Bonds5

About (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (PubChem CID 134696666) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
PubChem CID134696666
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol
SMILESCCc1cc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)[nH]n1
InChIInChI=1S/C20H24N4O/c1-2-16-10-18(23-22-16)12-24-11-15(20(25)13-24)9-17-8-7-14-5-3-4-6-19(14)21-17/h3-8,10,15,20,25H,2,9,11-13H2,1H3,(H,22,23)/t15-,20-/m1/s1
InChIKeyLVOKIPJMIDORMZ-FOIQADDNSA-N
XLogP2.56
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol (CID 134696666) is (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is CCc1cc(CN2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)[nH]n1.
What is the InChIKey of (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
The InChIKey is LVOKIPJMIDORMZ-FOIQADDNSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-16-10-18(23-22-16)12-24-11-15(20(25)13-24)9-17-8-7-14-5-3-4-6-19(14)21-17/h3-8,10,15,20,25H,2,9,11-13H2,1H3,(H,22,23)/t15-,20-/m1/s1.
What are the key properties of (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol has a molecular weight of 336.44 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-(quinolin-2-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134696666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).