N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide

C15H11Cl4N5O — CID 19524964

IUPACN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl4N5O/c16-10-2-1-9(12(18)3-10)5-24-7-13(19)15(22-24)21-14(25)8-23-6-11(17)4-20-23/h1-4,6-7H,5,8H2,(H,21,22,25)
InChIKeyNNRHRMHBGNWTFW-UHFFFAOYSA-N
MW419.10 g/mol
LogP4.38
Rot. Bonds5

About N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide (PubChem CID 19524964) has the molecular formula C15H11Cl4N5O and a molecular weight of 419.10 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
PubChem CID19524964
Molecular FormulaC15H11Cl4N5O
Molecular Weight419.10 g/mol
Exact Mass416.97
IUPAC NameN-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C15H11Cl4N5O/c16-10-2-1-9(12(18)3-10)5-24-7-13(19)15(22-24)21-14(25)8-23-6-11(17)4-20-23/h1-4,6-7H,5,8H2,(H,21,22,25)
InChIKeyNNRHRMHBGNWTFW-UHFFFAOYSA-N
XLogP4.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.10
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539586
1-[2-[[4-bromo-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502640
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524977
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,2,2-trifluoroacetamide
CID 19396848
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569942
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262561
2-(4-bromopyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19524682
1-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-propylthiourea
CID 17266174
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloro-5-methylpyrazol-1-yl)propanamide
CID 19533752
N-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524948
1-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(4-chlorophenyl)methyl]thiourea
CID 2211450
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19396909

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide?
The IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide (CID 19524964) is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide?
The canonical SMILES for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide is O=C(Cn1cc(Cl)cn1)Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide?
The InChIKey is NNRHRMHBGNWTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl4N5O/c16-10-2-1-9(12(18)3-10)5-24-7-13(19)15(22-24)21-14(25)8-23-6-11(17)4-20-23/h1-4,6-7H,5,8H2,(H,21,22,25).
What are the key properties of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide?
N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide has a molecular weight of 419.10 g/mol, XLogP of 4.38, 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-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide is sourced from PubChem (CID 19524964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).