1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

C13H17N5O — CID 110271127

IUPAC1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cn[nH]c1C1CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C13H17N5O/c1-10-7-14-16-13(10)11-3-6-17(8-11)12(19)9-18-5-2-4-15-18/h2,4-5,7,11H,3,6,8-9H2,1H3,(H,14,16)
InChIKeyCUIMGQUWSQSHGB-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.93
Rot. Bonds3

About 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone

1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (PubChem CID 110271127) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.

Molecular Properties

Compound Name1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
PubChem CID110271127
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
SMILESCc1cn[nH]c1C1CCN(C(=O)Cn2cccn2)C1
InChIInChI=1S/C13H17N5O/c1-10-7-14-16-13(10)11-3-6-17(8-11)12(19)9-18-5-2-4-15-18/h2,4-5,7,11H,3,6,8-9H2,1H3,(H,14,16)
InChIKeyCUIMGQUWSQSHGB-UHFFFAOYSA-N
XLogP0.93
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The IUPAC name of 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone (CID 110271127) is 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone.
What is the SMILES notation for 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The canonical SMILES for 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is Cc1cn[nH]c1C1CCN(C(=O)Cn2cccn2)C1.
What is the InChIKey of 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
The InChIKey is CUIMGQUWSQSHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-10-7-14-16-13(10)11-3-6-17(8-11)12(19)9-18-5-2-4-15-18/h2,4-5,7,11H,3,6,8-9H2,1H3,(H,14,16).
What are the key properties of 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone?
1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone has a molecular weight of 259.31 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone is sourced from PubChem (CID 110271127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).