5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide

C18H16Cl2N4O — CID 134013910

IUPAC5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N4O/c1-11-15(12(2)24(23-11)14-6-4-3-5-7-14)10-22-18(25)13-8-16(19)17(20)21-9-13/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyJBTYFYYYJBKJTB-UHFFFAOYSA-N
MW375.26 g/mol
LogP4.12
Rot. Bonds4

About 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide

5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide (PubChem CID 134013910) has the molecular formula C18H16Cl2N4O and a molecular weight of 375.26 g/mol. Its IUPAC name is 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
PubChem CID134013910
Molecular FormulaC18H16Cl2N4O
Molecular Weight375.26 g/mol
Exact Mass374.07
IUPAC Name5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C18H16Cl2N4O/c1-11-15(12(2)24(23-11)14-6-4-3-5-7-14)10-22-18(25)13-8-16(19)17(20)21-9-13/h3-9H,10H2,1-2H3,(H,22,25)
InChIKeyJBTYFYYYJBKJTB-UHFFFAOYSA-N
XLogP4.12
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.26
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-fluoro-4-methylbenzamide
CID 8531507
methyl 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylcarbamoyl]pyridine-3-carboxylate
CID 134039468
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-methoxy-4-methylbenzamide
CID 8531518
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481238
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19282557
4-chloro-3-(diethylsulfamoyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 134013903
1-chloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]isoquinoline-3-carboxamide
CID 55668901
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyrazine-2-carboxamide
CID 27882833
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 24516009
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19282521
3-[(4-bromopyrazol-1-yl)methyl]-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide
CID 19282558
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(dimethylsulfamoyl)benzamide
CID 4825742

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide (CID 134013910) is 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide is Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
The InChIKey is JBTYFYYYJBKJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4O/c1-11-15(12(2)24(23-11)14-6-4-3-5-7-14)10-22-18(25)13-8-16(19)17(20)21-9-13/h3-9H,10H2,1-2H3,(H,22,25).
What are the key properties of 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide?
5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide has a molecular weight of 375.26 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 134013910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).