1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione

C24H28ClN5O3 — CID 55802149

IUPAC1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)c2C2CC2)cc1Cl
InChIInChI=1S/C24H28ClN5O3/c1-16-4-7-18(14-20(16)25)30-21(17-5-6-17)19(15-26-30)22(31)28-10-12-29(13-11-28)24(33)23(32)27-8-2-3-9-27/h4,7,14-15,17H,2-3,5-6,8-13H2,1H3
InChIKeyZNHDREQXDMFQBO-UHFFFAOYSA-N
MW469.97 g/mol
LogP2.62
Rot. Bonds3

About 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione

1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 55802149) has the molecular formula C24H28ClN5O3 and a molecular weight of 469.97 g/mol. Its IUPAC name is 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID55802149
Molecular FormulaC24H28ClN5O3
Molecular Weight469.97 g/mol
Exact Mass469.19
IUPAC Name1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCc1ccc(-n2ncc(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)c2C2CC2)cc1Cl
InChIInChI=1S/C24H28ClN5O3/c1-16-4-7-18(14-20(16)25)30-21(17-5-6-17)19(15-26-30)22(31)28-10-12-29(13-11-28)24(33)23(32)27-8-2-3-9-27/h4,7,14-15,17H,2-3,5-6,8-13H2,1H3
InChIKeyZNHDREQXDMFQBO-UHFFFAOYSA-N
XLogP2.62
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.97
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-piperazin-1-ylmethanone
CID 119402776
(3R)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698115
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 120656709
[(3R)-3-aminopyrrolidin-1-yl]-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]methanone
CID 119412250
2-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-N,N-diethylacetamide
CID 38425533
(3S,4S)-1-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952735
[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazol-4-yl]-[4-(3-hydroxypropoxy)piperidin-1-yl]methanone
CID 71853509
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-4-carboxamide
CID 55722150
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119503054
2-[[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]-methylamino]acetic acid
CID 119172518
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588
5-cyclopropyl-1-(3,4-dichlorophenyl)pyrazole-4-carboxylic acid
CID 28606372

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione (CID 55802149) is 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione is Cc1ccc(-n2ncc(C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)c2C2CC2)cc1Cl.
What is the InChIKey of 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is ZNHDREQXDMFQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O3/c1-16-4-7-18(14-20(16)25)30-21(17-5-6-17)19(15-26-30)22(31)28-10-12-29(13-11-28)24(33)23(32)27-8-2-3-9-27/h4,7,14-15,17H,2-3,5-6,8-13H2,1H3.
What are the key properties of 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione?
1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 469.97 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-chloro-4-methylphenyl)-5-cyclopropylpyrazole-4-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 55802149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).