(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone

C10H7Cl2N3O — CID 105132628

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
SMILESCn1ncc(Cl)c1C(=O)c1ccncc1Cl
InChIInChI=1S/C10H7Cl2N3O/c1-15-9(8(12)5-14-15)10(16)6-2-3-13-4-7(6)11/h2-5H,1H3
InChIKeyKLQWICOEMDIYGL-UHFFFAOYSA-N
MW256.09 g/mol
LogP2.35
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone (PubChem CID 105132628) has the molecular formula C10H7Cl2N3O and a molecular weight of 256.09 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
PubChem CID105132628
Molecular FormulaC10H7Cl2N3O
Molecular Weight256.09 g/mol
Exact Mass255.00
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone
SMILESCn1ncc(Cl)c1C(=O)c1ccncc1Cl
InChIInChI=1S/C10H7Cl2N3O/c1-15-9(8(12)5-14-15)10(16)6-2-3-13-4-7(6)11/h2-5H,1H3
InChIKeyKLQWICOEMDIYGL-UHFFFAOYSA-N
XLogP2.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-chloro-4-pyridinyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 105132801
(3-chloro-4-pyridinyl)-(3-methyltriazol-4-yl)methanone
CID 105131453
(2-bromo-3-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 107984639
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylphenyl)methanone
CID 114638889
(4-chloro-1-methylpyrazol-5-yl)-(1-methylimidazol-2-yl)methanone
CID 114641937
(3-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 115809410
[4-bromo-2-(trifluoromethyl)phenyl]-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114639788
(4-chloro-1-methylpyrazol-5-yl)-(2-methylquinolin-4-yl)methanone
CID 105132581
(4-bromo-1-methylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877543
(4-chloro-1-methylpyrazol-5-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 115809281
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone (CID 105132628) is (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone is Cn1ncc(Cl)c1C(=O)c1ccncc1Cl.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone?
The InChIKey is KLQWICOEMDIYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O/c1-15-9(8(12)5-14-15)10(16)6-2-3-13-4-7(6)11/h2-5H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone has a molecular weight of 256.09 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(3-chloro-4-pyridinyl)methanone is sourced from PubChem (CID 105132628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).