3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

C16H23N5O — CID 110104428

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN2C(=O)CCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C16H23N5O/c1-10-9-17-16(18-10)14-5-4-8-21(14)15(22)7-6-13-11(2)19-20-12(13)3/h9,14H,4-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGIBFBKZIJTVTAL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110104428) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110104428
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(C2CCCN2C(=O)CCc2c(C)n[nH]c2C)[nH]1
InChIInChI=1S/C16H23N5O/c1-10-9-17-16(18-10)14-5-4-8-21(14)15(22)7-6-13-11(2)19-20-12(13)3/h9,14H,4-8H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyGIBFBKZIJTVTAL-UHFFFAOYSA-N
XLogP2.35
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one (CID 110104428) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1cnc(C2CCCN2C(=O)CCc2c(C)n[nH]c2C)[nH]1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is GIBFBKZIJTVTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10-9-17-16(18-10)14-5-4-8-21(14)15(22)7-6-13-11(2)19-20-12(13)3/h9,14H,4-8H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 301.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110104428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).