N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide

C17H16Cl3N5O — CID 19537393

IUPACN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1C(C)C(=O)Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-10-6-7-21-25(10)11(2)17(26)22-16-15(20)9-24(23-16)8-12-13(18)4-3-5-14(12)19/h3-7,9,11H,8H2,1-2H3,(H,22,23,26)
InChIKeyJMNNRTQUTSAZIX-UHFFFAOYSA-N
MW412.71 g/mol
LogP4.60
Rot. Bonds5

About N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide (PubChem CID 19537393) has the molecular formula C17H16Cl3N5O and a molecular weight of 412.71 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide
PubChem CID19537393
Molecular FormulaC17H16Cl3N5O
Molecular Weight412.71 g/mol
Exact Mass411.04
IUPAC NameN-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide
SMILESCc1ccnn1C(C)C(=O)Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl
InChIInChI=1S/C17H16Cl3N5O/c1-10-6-7-21-25(10)11(2)17(26)22-16-15(20)9-24(23-16)8-12-13(18)4-3-5-14(12)19/h3-7,9,11H,8H2,1-2H3,(H,22,23,26)
InChIKeyJMNNRTQUTSAZIX-UHFFFAOYSA-N
XLogP4.60
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539237
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522929
1-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2-methylpropyl)thiourea
CID 19401662
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569925
2-(4-bromo-5-methylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]propanamide
CID 19535541
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide
CID 19537163
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanamide
CID 19549566
N-[4-chloro-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19535289
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533752
2,4-dichloro-N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409055
2-[4-[[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500724
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19532242

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide (CID 19537393) is N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide is Cc1ccnn1C(C)C(=O)Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide?
The InChIKey is JMNNRTQUTSAZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3N5O/c1-10-6-7-21-25(10)11(2)17(26)22-16-15(20)9-24(23-16)8-12-13(18)4-3-5-14(12)19/h3-7,9,11H,8H2,1-2H3,(H,22,23,26).
What are the key properties of N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide?
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide has a molecular weight of 412.71 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(5-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 19537393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).