N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

C19H22Cl2N4O2 — CID 55870918

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N4O2/c1-12(2)19(27)24-9-3-4-16(24)18(26)23-17-7-8-22-25(17)11-13-5-6-14(20)10-15(13)21/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,23,26)
InChIKeyWSOKKQFMVKLZCM-UHFFFAOYSA-N
MW409.32 g/mol
LogP3.82
Rot. Bonds5

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (PubChem CID 55870918) has the molecular formula C19H22Cl2N4O2 and a molecular weight of 409.32 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
PubChem CID55870918
Molecular FormulaC19H22Cl2N4O2
Molecular Weight409.32 g/mol
Exact Mass408.11
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(=O)N1CCCC1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H22Cl2N4O2/c1-12(2)19(27)24-9-3-4-16(24)18(26)23-17-7-8-22-25(17)11-13-5-6-14(20)10-15(13)21/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,23,26)
InChIKeyWSOKKQFMVKLZCM-UHFFFAOYSA-N
XLogP3.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]oxane-4-carboxamide
CID 51248287
1-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122090594
(2S)-N-(4-chlorophenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 110286200
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568216
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 16568057
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-[3-chloro-4-(2-methylpropoxy)phenyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 55874024
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]cyclobutanecarboxamide
CID 17406614
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 46547114
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide (CID 55870918) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is CC(C)C(=O)N1CCCC1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
The InChIKey is WSOKKQFMVKLZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N4O2/c1-12(2)19(27)24-9-3-4-16(24)18(26)23-17-7-8-22-25(17)11-13-5-6-14(20)10-15(13)21/h5-8,10,12,16H,3-4,9,11H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 55870918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).