1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone

C17H25N5O — CID 75435652

IUPAC1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)n1ccnc1CN1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C17H25N5O/c1-13(2)22-8-6-18-17(22)12-21-7-4-5-15(21)9-16(23)14-10-19-20(3)11-14/h6,8,10-11,13,15H,4-5,7,9,12H2,1-3H3
InChIKeyYHTFETXWYOLJAM-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.43
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone

1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone (PubChem CID 75435652) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone
PubChem CID75435652
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone
SMILESCC(C)n1ccnc1CN1CCCC1CC(=O)c1cnn(C)c1
InChIInChI=1S/C17H25N5O/c1-13(2)22-8-6-18-17(22)12-21-7-4-5-15(21)9-16(23)14-10-19-20(3)11-14/h6,8,10-11,13,15H,4-5,7,9,12H2,1-3H3
InChIKeyYHTFETXWYOLJAM-UHFFFAOYSA-N
XLogP2.43
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone (CID 75435652) is 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone is CC(C)n1ccnc1CN1CCCC1CC(=O)c1cnn(C)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?
The InChIKey is YHTFETXWYOLJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13(2)22-8-6-18-17(22)12-21-7-4-5-15(21)9-16(23)14-10-19-20(3)11-14/h6,8,10-11,13,15H,4-5,7,9,12H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone?
1-(1-methylpyrazol-4-yl)-2-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone has a molecular weight of 315.42 g/mol, XLogP of 2.43, 6 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-[1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-yl]ethanone is sourced from PubChem (CID 75435652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).