1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone

C24H23N7O2 — CID 3858161

IUPAC1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
SMILESCc1c(C(=O)N2CCCN2C(=O)Cn2ccc(-c3ccncc3)n2)cnn1-c1ccccc1
InChIInChI=1S/C24H23N7O2/c1-18-21(16-26-31(18)20-6-3-2-4-7-20)24(33)30-14-5-13-29(30)23(32)17-28-15-10-22(27-28)19-8-11-25-12-9-19/h2-4,6-12,15-16H,5,13-14,17H2,1H3
InChIKeySFGMFXPQAWILSC-UHFFFAOYSA-N
MW441.50 g/mol
LogP2.73
Rot. Bonds5

About 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone

1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone (PubChem CID 3858161) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
PubChem CID3858161
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
SMILESCc1c(C(=O)N2CCCN2C(=O)Cn2ccc(-c3ccncc3)n2)cnn1-c1ccccc1
InChIInChI=1S/C24H23N7O2/c1-18-21(16-26-31(18)20-6-3-2-4-7-20)24(33)30-14-5-13-29(30)23(32)17-28-15-10-22(27-28)19-8-11-25-12-9-19/h2-4,6-12,15-16H,5,13-14,17H2,1H3
InChIKeySFGMFXPQAWILSC-UHFFFAOYSA-N
XLogP2.73
TPSA89.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone (CID 3858161) is 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone is Cc1c(C(=O)N2CCCN2C(=O)Cn2ccc(-c3ccncc3)n2)cnn1-c1ccccc1.
What is the InChIKey of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone?
The InChIKey is SFGMFXPQAWILSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-18-21(16-26-31(18)20-6-3-2-4-7-20)24(33)30-14-5-13-29(30)23(32)17-28-15-10-22(27-28)19-8-11-25-12-9-19/h2-4,6-12,15-16H,5,13-14,17H2,1H3.
What are the key properties of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone?
1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone has a molecular weight of 441.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone is sourced from PubChem (CID 3858161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).