(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone

C19H20N4O — CID 95828739

IUPAC(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1
InChIInChI=1S/C19H20N4O/c1-22-13-17(11-21-22)19(24)23-8-6-15(12-23)9-14-4-5-18-16(10-14)3-2-7-20-18/h2-5,7,10-11,13,15H,6,8-9,12H2,1H3/t15-/m0/s1
InChIKeyXOVADUQKUZPBFM-HNNXBMFYSA-N
MW320.40 g/mol
LogP2.67
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone

(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 95828739) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID95828739
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCn1cc(C(=O)N2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1
InChIInChI=1S/C19H20N4O/c1-22-13-17(11-21-22)19(24)23-8-6-15(12-23)9-14-4-5-18-16(10-14)3-2-7-20-18/h2-5,7,10-11,13,15H,6,8-9,12H2,1H3/t15-/m0/s1
InChIKeyXOVADUQKUZPBFM-HNNXBMFYSA-N
XLogP2.67
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

pyridin-3-yl-[3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone
CID 110258714
(2-methylpyrimidin-5-yl)-[(3S)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124966699
pyrimidin-5-yl-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 125015441
(1-methylimidazol-4-yl)-[4-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 110090455
pyridazin-4-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124963997
pyridazin-4-yl-[3-(quinolin-3-ylmethyl)pyrrolidin-1-yl]methanone
CID 110111706
(5-methyl-1,3-oxazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 124967795
tert-butyl 4-(quinolin-6-ylmethyl)piperidine-1-carboxylate
CID 174880299
[(3R)-3-aminopyrrolidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119412655
(6-methyl-2-pyridinyl)-[(6R)-4-methyl-6-(quinolin-6-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 124969600
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-[3-(quinolin-6-ylmethyl)piperidin-1-yl]methanone
CID 132767463
pyrimidin-2-yl-[(6S)-6-(quinolin-6-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 125019888

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone (CID 95828739) is (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone is Cn1cc(C(=O)N2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is XOVADUQKUZPBFM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-22-13-17(11-21-22)19(24)23-8-6-15(12-23)9-14-4-5-18-16(10-14)3-2-7-20-18/h2-5,7,10-11,13,15H,6,8-9,12H2,1H3/t15-/m0/s1.
What are the key properties of (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 320.40 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[(3R)-3-(quinolin-6-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95828739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).