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

C14H15Cl2N3O — CID 19337383

IUPACN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-3-14(20)17-13-6-9(2)19(18-13)8-10-4-5-11(15)7-12(10)16/h4-7H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyYXOPUPSYYHQAIP-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.90
Rot. Bonds4

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

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (PubChem CID 19337383) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
PubChem CID19337383
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H15Cl2N3O/c1-3-14(20)17-13-6-9(2)19(18-13)8-10-4-5-11(15)7-12(10)16/h4-7H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyYXOPUPSYYHQAIP-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-2-ethylbutanamide
CID 19337125
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]cyclohexanecarboxamide
CID 19337382
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-ethoxybenzamide
CID 19337140
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-methoxybenzamide
CID 19337185
N-[1-[(2,6-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19339660
2-(4-chlorobenzoyl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337335
3-(4-bromopyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337226
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(1H-indol-3-yl)propanamide
CID 19337105
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-3-(3,5-dimethyl-4-nitropyrazol-1-yl)propanamide
CID 19337215
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19337356
4-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496378
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19337293

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide (CID 19337383) is N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is CCC(=O)Nc1cc(C)n(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
The InChIKey is YXOPUPSYYHQAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-3-14(20)17-13-6-9(2)19(18-13)8-10-4-5-11(15)7-12(10)16/h4-7H,3,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide?
N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide has a molecular weight of 312.20 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 19337383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).