3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide

C13H17Cl2N5O — CID 19554002

IUPAC3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
SMILESCc1c(Cl)cnn1CCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H17Cl2N5O/c1-10-12(15)8-18-20(10)6-3-13(21)16-4-2-5-19-9-11(14)7-17-19/h7-9H,2-6H2,1H3,(H,16,21)
InChIKeyGRZANAFODFPJPI-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.29
Rot. Bonds7

About 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide

3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide (PubChem CID 19554002) has the molecular formula C13H17Cl2N5O and a molecular weight of 330.22 g/mol. Its IUPAC name is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
PubChem CID19554002
Molecular FormulaC13H17Cl2N5O
Molecular Weight330.22 g/mol
Exact Mass329.08
IUPAC Name3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
SMILESCc1c(Cl)cnn1CCC(=O)NCCCn1cc(Cl)cn1
InChIInChI=1S/C13H17Cl2N5O/c1-10-12(15)8-18-20(10)6-3-13(21)16-4-2-5-19-9-11(14)7-17-19/h7-9H,2-6H2,1H3,(H,16,21)
InChIKeyGRZANAFODFPJPI-UHFFFAOYSA-N
XLogP2.29
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.29
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

4-[3-(4-chloro-5-methylpyrazol-1-yl)propanoylamino]butanoyl chloride
CID 19552342
3-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283451
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-3-(4-chloropyrazol-1-yl)propanamide
CID 19539616
3-(4-chloro-3-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide
CID 19544146
N-[2-(4-chloropyrazol-1-yl)ethyl]-3-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19283446
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522915
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
3-(4-chloro-5-methylpyrazol-1-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 19554051
N-[3-(4-chloropyrazol-1-yl)propyl]acetamide
CID 19331985
N-[3-(4-chloropyrazol-1-yl)propyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 19525923
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283470

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
The IUPAC name of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide (CID 19554002) is 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
The canonical SMILES for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide is Cc1c(Cl)cnn1CCC(=O)NCCCn1cc(Cl)cn1.
What is the InChIKey of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
The InChIKey is GRZANAFODFPJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N5O/c1-10-12(15)8-18-20(10)6-3-13(21)16-4-2-5-19-9-11(14)7-17-19/h7-9H,2-6H2,1H3,(H,16,21).
What are the key properties of 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide?
3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide has a molecular weight of 330.22 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-chloropyrazol-1-yl)propyl]propanamide is sourced from PubChem (CID 19554002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).