2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide

C12H14Cl3N5O — CID 19525075

IUPAC2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)Cn2cc(Cl)cn2)c(Cl)c1Cl
InChIInChI=1S/C12H14Cl3N5O/c1-8-11(14)12(15)20(18-8)4-2-3-16-10(21)7-19-6-9(13)5-17-19/h5-6H,2-4,7H2,1H3,(H,16,21)
InChIKeyMNXYCSSSKIQVMO-UHFFFAOYSA-N
MW350.64 g/mol
LogP2.55
Rot. Bonds6

About 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide

2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19525075) has the molecular formula C12H14Cl3N5O and a molecular weight of 350.64 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
PubChem CID19525075
Molecular FormulaC12H14Cl3N5O
Molecular Weight350.64 g/mol
Exact Mass349.03
IUPAC Name2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1nn(CCCNC(=O)Cn2cc(Cl)cn2)c(Cl)c1Cl
InChIInChI=1S/C12H14Cl3N5O/c1-8-11(14)12(15)20(18-8)4-2-3-16-10(21)7-19-6-9(13)5-17-19/h5-6H,2-4,7H2,1H3,(H,16,21)
InChIKeyMNXYCSSSKIQVMO-UHFFFAOYSA-N
XLogP2.55
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.64
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(4-nitropyrazol-1-yl)acetamide
CID 19516128
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
CID 19516434
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
3-(4-bromo-5-methylpyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]propanamide
CID 19541656
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19529471
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]benzamide
CID 19332207
1-butyl-3-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]urea
CID 19334062
4-chloro-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-1-ethylpyrazole-3-carboxamide
CID 19263512
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide (CID 19525075) is 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide is Cc1nn(CCCNC(=O)Cn2cc(Cl)cn2)c(Cl)c1Cl.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is MNXYCSSSKIQVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl3N5O/c1-8-11(14)12(15)20(18-8)4-2-3-16-10(21)7-19-6-9(13)5-17-19/h5-6H,2-4,7H2,1H3,(H,16,21).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide?
2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 350.64 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19525075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).