(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone

C12H13ClN4O — CID 114642103

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ncc(C)cn1
InChIInChI=1S/C12H13ClN4O/c1-3-4-17-10(9(13)7-16-17)11(18)12-14-5-8(2)6-15-12/h5-7H,3-4H2,1-2H3
InChIKeyWXUHEBHINDFOGL-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.28
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone

(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone (PubChem CID 114642103) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
PubChem CID114642103
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)c1ncc(C)cn1
InChIInChI=1S/C12H13ClN4O/c1-3-4-17-10(9(13)7-16-17)11(18)12-14-5-8(2)6-15-12/h5-7H,3-4H2,1-2H3
InChIKeyWXUHEBHINDFOGL-UHFFFAOYSA-N
XLogP2.28
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanone
CID 105130996
(4-chloro-1-propylpyrazol-5-yl)-(3-methylphenyl)methanone
CID 114639191
(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-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114642895
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115805703
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
(4-chloro-1-propylpyrazol-5-yl)-(3,5-difluorophenyl)methanone
CID 114639545
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833
(3-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 107944773

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone (CID 114642103) is (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone is CCCn1ncc(Cl)c1C(=O)c1ncc(C)cn1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone?
The InChIKey is WXUHEBHINDFOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-3-4-17-10(9(13)7-16-17)11(18)12-14-5-8(2)6-15-12/h5-7H,3-4H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone has a molecular weight of 264.72 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone is sourced from PubChem (CID 114642103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).