[4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

C22H24Cl2N4O3 — CID 55605876

IUPAC[4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H24Cl2N4O3/c23-15-5-6-18(17(24)12-15)28-20(14-3-4-14)16(13-25-28)21(29)26-7-9-27(10-8-26)22(30)19-2-1-11-31-19/h5-6,12-14,19H,1-4,7-11H2
InChIKeyYGELHUZXGSDGIJ-UHFFFAOYSA-N
MW463.37 g/mol
LogP3.52
Rot. Bonds4

About [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone

[4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 55605876) has the molecular formula C22H24Cl2N4O3 and a molecular weight of 463.37 g/mol. Its IUPAC name is [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID55605876
Molecular FormulaC22H24Cl2N4O3
Molecular Weight463.37 g/mol
Exact Mass462.12
IUPAC Name[4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H24Cl2N4O3/c23-15-5-6-18(17(24)12-15)28-20(14-3-4-14)16(13-25-28)21(29)26-7-9-27(10-8-26)22(30)19-2-1-11-31-19/h5-6,12-14,19H,1-4,7-11H2
InChIKeyYGELHUZXGSDGIJ-UHFFFAOYSA-N
XLogP3.52
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.37
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 113080191
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazole-4-carboxamide
CID 55604519
3-(2,4-dichlorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]prop-2-en-1-one
CID 4827545
[4-[4-(5-chloro-2-pyridinyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86274435
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 55877479
5-cyclopropyl-1-(2,4-dichlorophenyl)-N'-[2-(4-fluorophenyl)acetyl]pyrazole-4-carbohydrazide
CID 55616369
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51160163
[4-[4-(3-chlorophenyl)benzoyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 86272765
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 2971476
[4-(3,4-dichlorophenyl)piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 1247457
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)ethyl]pyrazole-4-carboxamide
CID 55606584
[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazol-4-yl]methanol
CID 66438989

Frequently Asked Questions

What is the IUPAC name of [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone (CID 55605876) is [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is YGELHUZXGSDGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N4O3/c23-15-5-6-18(17(24)12-15)28-20(14-3-4-14)16(13-25-28)21(29)26-7-9-27(10-8-26)22(30)19-2-1-11-31-19/h5-6,12-14,19H,1-4,7-11H2.
What are the key properties of [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 463.37 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 55605876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).