(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

C20H24N4O — CID 134697914

IUPAC(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCCn1ccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)n1
InChIInChI=1S/C20H24N4O/c1-2-24-10-8-17(22-24)13-23-12-16(20(25)14-23)11-15-7-9-21-19-6-4-3-5-18(15)19/h3-10,16,20,25H,2,11-14H2,1H3/t16-,20-/m1/s1
InChIKeyXAJPIWMGPXMAGL-OXQOHEQNSA-N
MW336.44 g/mol
LogP2.49
Rot. Bonds5

About (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol

(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134697914) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID134697914
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCCn1ccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)n1
InChIInChI=1S/C20H24N4O/c1-2-24-10-8-17(22-24)13-23-12-16(20(25)14-23)11-15-7-9-21-19-6-4-3-5-18(15)19/h3-10,16,20,25H,2,11-14H2,1H3/t16-,20-/m1/s1
InChIKeyXAJPIWMGPXMAGL-OXQOHEQNSA-N
XLogP2.49
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol with MolForge

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Related Compounds

(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134712765
(3S,4R)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135098380
(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711012
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135116928
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
(3S,4R)-1-(4-methylpent-3-enyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135109527
(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134704446
(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134708250
(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135090563
(3S,4R)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155500849
(3S,4R)-1-[2-(4-chloropyrazol-1-yl)ethyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135099612

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 134697914) is (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is CCn1ccc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)n1.
What is the InChIKey of (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is XAJPIWMGPXMAGL-OXQOHEQNSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-24-10-8-17(22-24)13-23-12-16(20(25)14-23)11-15-7-9-21-19-6-4-3-5-18(15)19/h3-10,16,20,25H,2,11-14H2,1H3/t16-,20-/m1/s1.
What are the key properties of (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 336.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134697914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).