1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C14H19N5O — CID 124996250

IUPAC1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CC[C@@H](c3ncc(C)[nH]3)C2)c1
InChIInChI=1S/C14H19N5O/c1-10-5-16-19(7-10)9-13(20)18-4-3-12(8-18)14-15-6-11(2)17-14/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyQRSFMCKUJHORTE-GFCCVEGCSA-N
MW273.34 g/mol
LogP1.24
Rot. Bonds3

About 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 124996250) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID124996250
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCc1cnn(CC(=O)N2CC[C@@H](c3ncc(C)[nH]3)C2)c1
InChIInChI=1S/C14H19N5O/c1-10-5-16-19(7-10)9-13(20)18-4-3-12(8-18)14-15-6-11(2)17-14/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,17)/t12-/m1/s1
InChIKeyQRSFMCKUJHORTE-GFCCVEGCSA-N
XLogP1.24
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124960108
2-[(3S)-1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-3-yl]-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136763573
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
3-imidazol-1-yl-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104632
2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 124999280
2-(4-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]ethanone
CID 92563712
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 124997724
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124998813
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 156799354
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124943573
3-(2-fluorophenyl)-1-[3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 110104760

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 124996250) is 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is Cc1cnn(CC(=O)N2CC[C@@H](c3ncc(C)[nH]3)C2)c1.
What is the InChIKey of 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is QRSFMCKUJHORTE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-5-16-19(7-10)9-13(20)18-4-3-12(8-18)14-15-6-11(2)17-14/h5-7,12H,3-4,8-9H2,1-2H3,(H,15,17)/t12-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 273.34 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 124996250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).