1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide

C17H20Cl2N4O — CID 167757303

IUPAC1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CN(C)C2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N4O/c1-11-6-16(17(24)22(3)10-12-8-21(2)9-12)20-23(11)13-4-5-14(18)15(19)7-13/h4-7,12H,8-10H2,1-3H3
InChIKeyZGKUFOACRUULBW-UHFFFAOYSA-N
MW367.28 g/mol
LogP3.12
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide

1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide (PubChem CID 167757303) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide
PubChem CID167757303
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)CC2CN(C)C2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H20Cl2N4O/c1-11-6-16(17(24)22(3)10-12-8-21(2)9-12)20-23(11)13-4-5-14(18)15(19)7-13/h4-7,12H,8-10H2,1-3H3
InChIKeyZGKUFOACRUULBW-UHFFFAOYSA-N
XLogP3.12
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide (CID 167757303) is 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C(=O)N(C)CC2CN(C)C2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is ZGKUFOACRUULBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-11-6-16(17(24)22(3)10-12-8-21(2)9-12)20-23(11)13-4-5-14(18)15(19)7-13/h4-7,12H,8-10H2,1-3H3.
What are the key properties of 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide?
1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-N,5-dimethyl-N-[(1-methylazetidin-3-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 167757303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).