1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide

C15H16Cl2N4O — CID 119554673

IUPAC1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C1CCNC1
InChIInChI=1S/C15H16Cl2N4O/c1-20(12-4-5-18-8-12)15(22)10-7-19-21(9-10)14-3-2-11(16)6-13(14)17/h2-3,6-7,9,12,18H,4-5,8H2,1H3
InChIKeyFPSRYQOMUTUHDE-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide

1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide (PubChem CID 119554673) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
PubChem CID119554673
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESCN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C1CCNC1
InChIInChI=1S/C15H16Cl2N4O/c1-20(12-4-5-18-8-12)15(22)10-7-19-21(9-10)14-3-2-11(16)6-13(14)17/h2-3,6-7,9,12,18H,4-5,8H2,1H3
InChIKeyFPSRYQOMUTUHDE-UHFFFAOYSA-N
XLogP2.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dichlorophenyl)-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119826298
N-methyl-1-(2-methylphenyl)-N-[(3R)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134433
N-methyl-1-(2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]pyrazole-4-carboxamide
CID 125134432
3-chloro-4-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 103806752
1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-N-methylpyrazole-4-carboxamide
CID 110903813
3,5-dichloro-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 63298248
N-(2-amino-2-oxoethyl)-1-(2,4-dichlorophenyl)-N-methylpyrazole-4-carboxamide
CID 56819330
N-methyl-1-phenyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 43602271
1-tert-butyl-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119550148
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
1-(3-chlorophenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 119532202
2-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide
CID 119550263

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide (CID 119554673) is 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide is CN(C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1)C1CCNC1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The InChIKey is FPSRYQOMUTUHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-20(12-4-5-18-8-12)15(22)10-7-19-21(9-10)14-3-2-11(16)6-13(14)17/h2-3,6-7,9,12,18H,4-5,8H2,1H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119554673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).