1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone

C17H18N8O2 — CID 23849558

IUPAC1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1c(C(=O)N2CCCN2C(=O)Cn2cnnn2)cnn1-c1ccccc1
InChIInChI=1S/C17H18N8O2/c1-13-15(10-19-25(13)14-6-3-2-4-7-14)17(27)24-9-5-8-23(24)16(26)11-22-12-18-20-21-22/h2-4,6-7,10,12H,5,8-9,11H2,1H3
InChIKeyBSRNISJBFALLNO-UHFFFAOYSA-N
MW366.39 g/mol
LogP0.46
Rot. Bonds4

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

1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone (PubChem CID 23849558) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
PubChem CID23849558
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
SMILESCc1c(C(=O)N2CCCN2C(=O)Cn2cnnn2)cnn1-c1ccccc1
InChIInChI=1S/C17H18N8O2/c1-13-15(10-19-25(13)14-6-3-2-4-7-14)17(27)24-9-5-8-23(24)16(26)11-22-12-18-20-21-22/h2-4,6-7,10,12H,5,8-9,11H2,1H3
InChIKeyBSRNISJBFALLNO-UHFFFAOYSA-N
XLogP0.46
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(3-pyridin-4-ylpyrazol-1-yl)ethanone
CID 3858161
(2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone
CID 4999829
1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-3-prop-2-enoxypropan-1-one
CID 3721584
ethyl 3-[[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioyl]amino]propanoate
CID 3565251
1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 3492704
[2-(1,3-dimethyl-4-nitropyrazole-5-carbonyl)pyrazolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 3707275
[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-(5-methylsulfonylthiophen-2-yl)methanone
CID 3873552
N-(3-methoxypropyl)-2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioamide
CID 3274639
(4-benzyl-1,4-diazepan-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 46422149
N-cyclopentyl-N-ethyl-5-methyl-1-phenylpyrazole-4-carboxamide
CID 134060993
(4-amino-3,3-dimethylpiperidin-1-yl)-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 120816830
(5-methyl-1-phenylpyrazol-4-yl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90495061

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The IUPAC name of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone (CID 23849558) is 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone.
What is the SMILES notation for 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The canonical SMILES for 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone is Cc1c(C(=O)N2CCCN2C(=O)Cn2cnnn2)cnn1-c1ccccc1.
What is the InChIKey of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
The InChIKey is BSRNISJBFALLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c1-13-15(10-19-25(13)14-6-3-2-4-7-14)17(27)24-9-5-8-23(24)16(26)11-22-12-18-20-21-22/h2-4,6-7,10,12H,5,8-9,11H2,1H3.
What are the key properties of 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone?
1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone has a molecular weight of 366.39 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone is sourced from PubChem (CID 23849558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).