N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C24H22Cl2N4O3 — CID 147411509

IUPACN-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)NC(C)COc4cc(Cl)cc(Cl)c4)cc3c(=O)[nH]2)cc1C
InChIInChI=1S/C24H22Cl2N4O3/c1-13-4-5-16(6-14(13)2)21-11-30-22(24(32)28-21)10-20(29-30)23(31)27-15(3)12-33-19-8-17(25)7-18(26)9-19/h4-11,15H,12H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyDQRUYDISLVIPQX-UHFFFAOYSA-N
MW485.37 g/mol
LogP4.81
Rot. Bonds6

About N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide

N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 147411509) has the molecular formula C24H22Cl2N4O3 and a molecular weight of 485.37 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID147411509
Molecular FormulaC24H22Cl2N4O3
Molecular Weight485.37 g/mol
Exact Mass484.11
IUPAC NameN-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCc1ccc(-c2cn3nc(C(=O)NC(C)COc4cc(Cl)cc(Cl)c4)cc3c(=O)[nH]2)cc1C
InChIInChI=1S/C24H22Cl2N4O3/c1-13-4-5-16(6-14(13)2)21-11-30-22(24(32)28-21)10-20(29-30)23(31)27-15(3)12-33-19-8-17(25)7-18(26)9-19/h4-11,15H,12H2,1-3H3,(H,27,31)(H,28,32)
InChIKeyDQRUYDISLVIPQX-UHFFFAOYSA-N
XLogP4.81
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.37
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 147411509) is N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is Cc1ccc(-c2cn3nc(C(=O)NC(C)COc4cc(Cl)cc(Cl)c4)cc3c(=O)[nH]2)cc1C.
What is the InChIKey of N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is DQRUYDISLVIPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O3/c1-13-4-5-16(6-14(13)2)21-11-30-22(24(32)28-21)10-20(29-30)23(31)27-15(3)12-33-19-8-17(25)7-18(26)9-19/h4-11,15H,12H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 485.37 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenoxy)propan-2-yl]-6-(3,4-dimethylphenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 147411509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).