[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone

C18H18N4O — CID 127247164

IUPAC[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCc1cn[nH]c1C1CCN(C(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C18H18N4O/c1-12-10-19-21-17(12)14-8-9-22(11-14)18(23)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,10,14H,8-9,11H2,1H3,(H,19,21)
InChIKeyVXTGUKKLRAQEAN-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.90
Rot. Bonds2

About [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone

[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone (PubChem CID 127247164) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
PubChem CID127247164
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
SMILESCc1cn[nH]c1C1CCN(C(=O)c2ccc3ccccc3n2)C1
InChIInChI=1S/C18H18N4O/c1-12-10-19-21-17(12)14-8-9-22(11-14)18(23)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,10,14H,8-9,11H2,1H3,(H,19,21)
InChIKeyVXTGUKKLRAQEAN-UHFFFAOYSA-N
XLogP2.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-1-yl-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124970609
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95845426
[(3R)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-2-ylmethanone
CID 124942397
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125000271
2H-chromen-3-yl-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124974332
(3,5-difluorophenyl)-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124977219
(E)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-3-phenylprop-2-en-1-one
CID 124979520
(6-methyl-2-pyridinyl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 124972501
(3-phenylazepan-1-yl)-quinolin-2-ylmethanone
CID 90608386
(4-amino-3-methylpiperidin-1-yl)-quinolin-2-ylmethanone
CID 79868417
[(3R)-3-aminopiperidin-1-yl]-quinolin-2-ylmethanone
CID 102978482

Frequently Asked Questions

What is the IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone (CID 127247164) is [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone is Cc1cn[nH]c1C1CCN(C(=O)c2ccc3ccccc3n2)C1.
What is the InChIKey of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is VXTGUKKLRAQEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-10-19-21-17(12)14-8-9-22(11-14)18(23)16-7-6-13-4-2-3-5-15(13)20-16/h2-7,10,14H,8-9,11H2,1H3,(H,19,21).
What are the key properties of [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone?
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 127247164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).