4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide

C12H12Cl2N4O — CID 86700603

IUPAC4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
SMILESO=C(CCCCl)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H12Cl2N4O/c13-5-1-4-11(19)16-10-8-18(17-12(10)14)9-3-2-6-15-7-9/h2-3,6-8H,1,4-5H2,(H,16,19)
InChIKeyUYNXTWUYCKYSFR-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.88
Rot. Bonds5

About 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide

4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide (PubChem CID 86700603) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
PubChem CID86700603
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
SMILESO=C(CCCCl)Nc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C12H12Cl2N4O/c13-5-1-4-11(19)16-10-8-18(17-12(10)14)9-3-2-6-15-7-9/h2-3,6-8H,1,4-5H2,(H,16,19)
InChIKeyUYNXTWUYCKYSFR-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.88
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-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-propan-2-ylsulfanylpropanamide
CID 123960951
3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499762
4-chloro-N-(3-chloro-2-imidazol-1-ylphenyl)butanamide
CID 63307734
4-chloro-N-(2-methyl-3-pyridinyl)butanamide
CID 79042686
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylprop-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;deuterio(fluoro)methane
CID 162174674
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
4-chloro-N-[2-(dimethylamino)-3-pyridinyl]butanamide
CID 63308102
3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
CID 86705832
1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359810
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-methyl-4-pyridin-2-ylbutanamide
CID 90359909

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide?
The IUPAC name of 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide (CID 86700603) is 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide?
The canonical SMILES for 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide is O=C(CCCCl)Nc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide?
The InChIKey is UYNXTWUYCKYSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c13-5-1-4-11(19)16-10-8-18(17-12(10)14)9-3-2-6-15-7-9/h2-3,6-8H,1,4-5H2,(H,16,19).
What are the key properties of 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide?
4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide has a molecular weight of 299.16 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide is sourced from PubChem (CID 86700603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).