1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane

C12H14ClN3O — CID 158595805

IUPAC1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane
SMILESC.CC(=O)Cc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H10ClN3O.CH4/c1-8(16)5-9-7-15(14-11(9)12)10-3-2-4-13-6-10;/h2-4,6-7H,5H2,1H3;1H4
InChIKeyHUZXPGIAKCJSDH-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.69
Rot. Bonds3

About 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane

1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane (PubChem CID 158595805) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane.

Molecular Properties

Compound Name1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane
PubChem CID158595805
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane
SMILESC.CC(=O)Cc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H10ClN3O.CH4/c1-8(16)5-9-7-15(14-11(9)12)10-3-2-4-13-6-10;/h2-4,6-7H,5H2,1H3;1H4
InChIKeyHUZXPGIAKCJSDH-UHFFFAOYSA-N
XLogP2.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
2-chloro-5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]pyridine
CID 3729981
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
2-chloro-5-(1H-pyrazol-1-ylmethyl)pyridine
CID 1473523
2-chloro-5-(1H-pyrazol-1-yl)pyridine
CID 71755453
1-[1-(5-aminopyridin-3-yl)-3,5-dimethyl-1H-pyrazol-4-yl]acetone
CID 50980869
Pyridine, 2-chloro-5-(3,5-dimethyl-1H-pyrazol-1-yl)-
CID 56828028
3-(4-Methylpyrazol-1-yl)pyridine
CID 19757113
2-Chloro-5-(4-chloropyrazol-1-yl)pyridine
CID 101466830
3-chloro-N-(1-propan-2-ylpyrazol-4-yl)pyridine-4-carboxamide
CID 66482595
3-Chloro-N-methyl-N-[(1-methylpyrazol-4-YL)methyl]pyridin-4-amine
CID 71924498
3-[2-(3-Chlorophenyl)pyrazol-3-yl]-1-[5-(trifluoromethyl)pyridin-3-yl]pyridazin-4-one
CID 46872139

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane?
The IUPAC name of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane (CID 158595805) is 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane.
What is the SMILES notation for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane?
The canonical SMILES for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane is C.CC(=O)Cc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane?
The InChIKey is HUZXPGIAKCJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O.CH4/c1-8(16)5-9-7-15(14-11(9)12)10-3-2-4-13-6-10;/h2-4,6-7H,5H2,1H3;1H4.
What are the key properties of 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane?
1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane has a molecular weight of 251.72 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)propan-2-one;methane is sourced from PubChem (CID 158595805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).