(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone

C13H20ClN3O — CID 114669182

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1(C)CCCNC1
InChIInChI=1S/C13H20ClN3O/c1-3-7-17-11(10(14)8-16-17)12(18)13(2)5-4-6-15-9-13/h8,15H,3-7,9H2,1-2H3
InChIKeyHRLHBSSDMWTNCI-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.52
Rot. Bonds4

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

(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone (PubChem CID 114669182) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
PubChem CID114669182
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1(C)CCCNC1
InChIInChI=1S/C13H20ClN3O/c1-3-7-17-11(10(14)8-16-17)12(18)13(2)5-4-6-15-9-13/h8,15H,3-7,9H2,1-2H3
InChIKeyHRLHBSSDMWTNCI-UHFFFAOYSA-N
XLogP2.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669176
(4-bromo-1-propylpyrazol-5-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 114669204
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
3-(4-chloro-1-propylpyrazol-5-yl)piperidin-3-ol
CID 114633980
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylpiperidin-4-yl)methanone
CID 114669093
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
(4-bromo-1-propylpyrazol-5-yl)-(3-propylpiperidin-3-yl)methanone
CID 114669191
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(4-chloro-1-ethylpyrazol-5-yl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 114669350
[4-(aminomethyl)oxan-4-yl]-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114670803
(4-chloro-1-ethylpyrazol-5-yl)-(2-propylpyrrolidin-2-yl)methanone
CID 106976698
2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114671327

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone (CID 114669182) is (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone is CCCn1ncc(Cl)c1C(=O)C1(C)CCCNC1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
The InChIKey is HRLHBSSDMWTNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-3-7-17-11(10(14)8-16-17)12(18)13(2)5-4-6-15-9-13/h8,15H,3-7,9H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone?
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone has a molecular weight of 269.78 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 114669182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).