N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C18H17ClN4O — CID 56580879

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H17ClN4O/c1-23(2)17-9-8-13(19)10-15(17)20-18(24)16-11-14(21-22-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,24)(H,21,22)
InChIKeyVKFJSZUEROPBDQ-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.05
Rot. Bonds4

About N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 56580879) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID56580879
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C18H17ClN4O/c1-23(2)17-9-8-13(19)10-15(17)20-18(24)16-11-14(21-22-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,24)(H,21,22)
InChIKeyVKFJSZUEROPBDQ-UHFFFAOYSA-N
XLogP4.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-fluorophenyl)-3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 46920230
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
3-amino-N-[5-chloro-2-(dimethylamino)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62807916
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-(5-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087364
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56583142
3-(4-chlorophenyl)-N-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 45030405
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
3-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 19509413
N-(4-chloro-2-methylphenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087363
N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
N-(4-acetamidophenyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 26273244

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 56580879) is N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is CN(C)c1ccc(Cl)cc1NC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is VKFJSZUEROPBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-23(2)17-9-8-13(19)10-15(17)20-18(24)16-11-14(21-22-16)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,20,24)(H,21,22).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 340.81 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56580879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).