[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C14H18N4O — CID 95569418

IUPAC[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2cccn2C)cn1
InChIInChI=1S/C14H18N4O/c1-16-7-3-6-13(16)14(19)18-8-4-5-12(18)11-9-15-17(2)10-11/h3,6-7,9-10,12H,4-5,8H2,1-2H3/t12-/m1/s1
InChIKeyJYVVNXYNYZBDNF-GFCCVEGCSA-N
MW258.32 g/mol
LogP1.74
Rot. Bonds2

About [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 95569418) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID95569418
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2cccn2C)cn1
InChIInChI=1S/C14H18N4O/c1-16-7-3-6-13(16)14(19)18-8-4-5-12(18)11-9-15-17(2)10-11/h3,6-7,9-10,12H,4-5,8H2,1-2H3/t12-/m1/s1
InChIKeyJYVVNXYNYZBDNF-GFCCVEGCSA-N
XLogP1.74
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95283621
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
[2-(1-methylpyrazol-4-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 126855023
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
cyclohexyl-[(2R)-2-(1-methylpyrazol-4-yl)azepan-1-yl]methanone
CID 92566960
[2-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127247295
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127246960
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315443
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95315442
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
(1,5-dimethylpyrazol-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 86888139

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 95569418) is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cc([C@H]2CCCN2C(=O)c2cccn2C)cn1.
What is the InChIKey of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is JYVVNXYNYZBDNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N4O/c1-16-7-3-6-13(16)14(19)18-8-4-5-12(18)11-9-15-17(2)10-11/h3,6-7,9-10,12H,4-5,8H2,1-2H3/t12-/m1/s1.
What are the key properties of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 95569418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).