3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide

C12H11Cl3N4O — CID 108756176

IUPAC3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCCl)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl3N4O/c1-7-4-10(17-11(20)2-3-13)19(18-7)12-9(15)5-8(14)6-16-12/h4-6H,2-3H2,1H3,(H,17,20)
InChIKeyBTIPMHWTYULQQH-UHFFFAOYSA-N
MW333.61 g/mol
LogP3.45
Rot. Bonds4

About 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide

3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide (PubChem CID 108756176) has the molecular formula C12H11Cl3N4O and a molecular weight of 333.61 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide
PubChem CID108756176
Molecular FormulaC12H11Cl3N4O
Molecular Weight333.61 g/mol
Exact Mass332.00
IUPAC Name3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)CCCl)n(-c2ncc(Cl)cc2Cl)n1
InChIInChI=1S/C12H11Cl3N4O/c1-7-4-10(17-11(20)2-3-13)19(18-7)12-9(15)5-8(14)6-16-12/h4-6H,2-3H2,1H3,(H,17,20)
InChIKeyBTIPMHWTYULQQH-UHFFFAOYSA-N
XLogP3.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.61
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108732713
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 108756105
N-[6-[[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]amino]-6-oxohexyl]benzamide
CID 108732627
1-(4-chlorophenyl)-3-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]urea
CID 108781467
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]pyridine-3-carboxamide
CID 108756056
2-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-6-fluorobenzamide
CID 108732661
2-(4-chlorophenoxy)-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-methylpropanamide
CID 108756054
2-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]acetamide
CID 55838315
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 108756112
methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
CID 58158937
N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]-5-oxo-1-propan-2-ylpyrrolidine-3-carboxamide
CID 108756145
3-chloro-N-(5-chloro-3-methyl-2-pyridinyl)propanamide
CID 130603866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide?
The IUPAC name of 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide (CID 108756176) is 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide is Cc1cc(NC(=O)CCCl)n(-c2ncc(Cl)cc2Cl)n1.
What is the InChIKey of 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide?
The InChIKey is BTIPMHWTYULQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl3N4O/c1-7-4-10(17-11(20)2-3-13)19(18-7)12-9(15)5-8(14)6-16-12/h4-6H,2-3H2,1H3,(H,17,20).
What are the key properties of 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide?
3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide has a molecular weight of 333.61 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazol-3-yl]propanamide is sourced from PubChem (CID 108756176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).