2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide

C16H15Cl2N5O — CID 19520712

IUPAC2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H15Cl2N5O/c1-11-14(18)8-19-23(11)10-16(24)20-15-5-6-22(21-15)9-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3,(H,20,21,24)
InChIKeySDXNKEQLNFOAPO-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.38
Rot. Bonds5

About 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 19520712) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID19520712
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC Name2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1c(Cl)cnn1CC(=O)Nc1ccn(Cc2cccc(Cl)c2)n1
InChIInChI=1S/C16H15Cl2N5O/c1-11-14(18)8-19-23(11)10-16(24)20-15-5-6-22(21-15)9-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3,(H,20,21,24)
InChIKeySDXNKEQLNFOAPO-UHFFFAOYSA-N
XLogP3.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-chloropyrazol-1-yl)acetamide
CID 19524979
3-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19552264
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19518157
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]acetamide
CID 19520705
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19403070
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19403248
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]acetamide
CID 19520726
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-5-carboxamide
CID 19475126
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19404266
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19557862
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264337
3-(4-chloropyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]propanamide
CID 19539596

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide (CID 19520712) is 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide is Cc1c(Cl)cnn1CC(=O)Nc1ccn(Cc2cccc(Cl)c2)n1.
What is the InChIKey of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is SDXNKEQLNFOAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c1-11-14(18)8-19-23(11)10-16(24)20-15-5-6-22(21-15)9-12-3-2-4-13(17)7-12/h2-8H,9-10H2,1H3,(H,20,21,24).
What are the key properties of 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 364.24 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 19520712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).