1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone

C17H23N5O — CID 97340644

IUPAC1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone
SMILESCC(C)c1nccc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H23N5O/c1-12(2)17-18-7-6-16(20-17)22-8-4-5-14(22)9-15(23)13-10-19-21(3)11-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3/t14-/m1/s1
InChIKeyJCSSLJRINPRLED-CQSZACIVSA-N
MW313.41 g/mol
LogP2.58
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone

1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone (PubChem CID 97340644) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone
PubChem CID97340644
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone
SMILESCC(C)c1nccc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)n1
InChIInChI=1S/C17H23N5O/c1-12(2)17-18-7-6-16(20-17)22-8-4-5-14(22)9-15(23)13-10-19-21(3)11-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3/t14-/m1/s1
InChIKeyJCSSLJRINPRLED-CQSZACIVSA-N
XLogP2.58
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(Cyclopropylmethyl)-1-[5-[2-(3-fluoro-5,6-dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]pentan-1-one
CID 123960895
3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
CID 155083923
2-[1-(5-Fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 75483787
1-(1-Methylpyrazol-4-yl)-2-[1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 75499083
2-[(2S)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97340642
2-[(2R)-1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 97340643
1-(1-methylpyrazol-4-yl)-2-[(2S)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 97803016
1-(1-methylpyrazol-4-yl)-2-[(2R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]ethanone
CID 97803017
2-[1-[4-(Dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 133423222
2-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 133423230
1-(1-Methylpyrazol-4-yl)-2-[1-[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]ethanone
CID 133423239
1-(1-Methylpyrazol-4-yl)-2-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrrolidin-2-yl]ethanone
CID 133423246

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone (CID 97340644) is 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone is CC(C)c1nccc(N2CCC[C@@H]2CC(=O)c2cnn(C)c2)n1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone?
The InChIKey is JCSSLJRINPRLED-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12(2)17-18-7-6-16(20-17)22-8-4-5-14(22)9-15(23)13-10-19-21(3)11-13/h6-7,10-12,14H,4-5,8-9H2,1-3H3/t14-/m1/s1.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone?
1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 97340644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).