(2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone

C21H24N6O2 — CID 4999829

IUPAC(2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C21H24N6O2/c1-4-24-19(13-15(2)23-24)21(29)26-12-8-11-25(26)20(28)18-14-22-27(16(18)3)17-9-6-5-7-10-17/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3
InChIKeyMNOHAQQKIQAMOZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.61
Rot. Bonds4

About (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone

(2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone (PubChem CID 4999829) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone
PubChem CID4999829
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name(2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone
SMILESCCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C21H24N6O2/c1-4-24-19(13-15(2)23-24)21(29)26-12-8-11-25(26)20(28)18-14-22-27(16(18)3)17-9-6-5-7-10-17/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3
InChIKeyMNOHAQQKIQAMOZ-UHFFFAOYSA-N
XLogP2.61
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 23849558
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-(3-pyridin-4-ylpyrazol-1-yl)ethanone
CID 3858161
[2-(1,3-dimethyl-4-nitropyrazole-5-carbonyl)pyrazolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 3707275
1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-3-prop-2-enoxypropan-1-one
CID 3721584
N-(3-methoxypropyl)-2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidine-1-carbothioamide
CID 3274639
(2-ethyl-5-methylpyrazol-3-yl)-[2-(4-methoxyquinoline-2-carbonyl)pyrazolidin-1-yl]methanone
CID 3367250
[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-(5-methylsulfonylthiophen-2-yl)methanone
CID 3873552
1-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]-2-(2-nitrophenoxy)ethanone
CID 3492704
aziridin-1-yl-(2-ethyl-5-methylpyrazol-3-yl)methanone
CID 127002241
(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

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone (CID 4999829) is (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone is CCn1nc(C)cc1C(=O)N1CCCN1C(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is MNOHAQQKIQAMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-4-24-19(13-15(2)23-24)21(29)26-12-8-11-25(26)20(28)18-14-22-27(16(18)3)17-9-6-5-7-10-17/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3.
What are the key properties of (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone?
(2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 392.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5-methylpyrazol-3-yl)-[2-(5-methyl-1-phenylpyrazole-4-carbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 4999829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).