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

C20H24N4O — CID 134712765

IUPAC(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCCn1cc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1
InChIInChI=1S/C20H24N4O/c1-2-24-12-15(10-22-24)11-23-13-17(20(25)14-23)9-16-7-8-21-19-6-4-3-5-18(16)19/h3-8,10,12,17,20,25H,2,9,11,13-14H2,1H3/t17-,20-/m1/s1
InChIKeyGBIDAXINAOYFBA-YLJYHZDGSA-N
MW336.44 g/mol
LogP2.49
Rot. Bonds5

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

(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 134712765) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID134712765
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name(3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
SMILESCCn1cc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1
InChIInChI=1S/C20H24N4O/c1-2-24-12-15(10-22-24)11-23-13-17(20(25)14-23)9-16-7-8-21-19-6-4-3-5-18(16)19/h3-8,10,12,17,20,25H,2,9,11,13-14H2,1H3/t17-,20-/m1/s1
InChIKeyGBIDAXINAOYFBA-YLJYHZDGSA-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

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Related Compounds

(3S,4R)-1-[(1-ethylpyrazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134697914
(3R,4R)-1-[(6-ethoxy-3-pyridinyl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711012
(3S,4R)-1-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155500849
(3R,4R)-1-[(6-ethoxy-2,3-dihydro-1H-inden-5-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134704446
(3S,4R)-4-(pyrazin-2-ylmethyl)-1-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 155501090
(3R,4R)-1-(1-benzofuran-2-ylmethyl)-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134708250
(3R,4R)-1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135116928
(3R,4R)-1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 135090563
methyl 6-[[(3R,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 155498400
1-ethyl-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]pyrazole-4-carboxamide
CID 134707923
(3R,4R)-1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol
CID 134711039
cyclopentyl-[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134708862

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol (CID 134712765) is (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is CCn1cc(CN2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1.
What is the InChIKey of (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is GBIDAXINAOYFBA-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-24-12-15(10-22-24)11-23-13-17(20(25)14-23)9-16-7-8-21-19-6-4-3-5-18(16)19/h3-8,10,12,17,20,25H,2,9,11,13-14H2,1H3/t17-,20-/m1/s1.
What are the key properties of (3S,4R)-1-[(1-ethylpyrazol-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol?
(3S,4R)-1-[(1-ethylpyrazol-4-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-4-yl)methyl]-4-(quinolin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 134712765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).