(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone

C13H14ClN3O — CID 105130996

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cncc(C)c1
InChIInChI=1S/C13H14ClN3O/c1-3-4-17-12(11(14)8-16-17)13(18)10-5-9(2)6-15-7-10/h5-8H,3-4H2,1-2H3
InChIKeyPIKZILKNPLAKKZ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.88
Rot. Bonds4

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

(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 105130996) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
PubChem CID105130996
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1cncc(C)c1
InChIInChI=1S/C13H14ClN3O/c1-3-4-17-12(11(14)8-16-17)13(18)10-5-9(2)6-15-7-10/h5-8H,3-4H2,1-2H3
InChIKeyPIKZILKNPLAKKZ-UHFFFAOYSA-N
XLogP2.88
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
(4-chloro-1-propylpyrazol-5-yl)-(2-methyl-4-pyridinyl)methanone
CID 106754783
(4-chloro-1-propylpyrazol-5-yl)-(1-methylpyrazol-4-yl)methanone
CID 114640551
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114667997
(4-amino-3-bromophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669787
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-pyrimidin-5-ylmethanone
CID 102923235

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone (CID 105130996) is (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone is CCCn1ncc(Cl)c1C(=O)c1cncc(C)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is PIKZILKNPLAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-3-4-17-12(11(14)8-16-17)13(18)10-5-9(2)6-15-7-10/h5-8H,3-4H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 263.73 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 105130996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).