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

C13H20ClN3O — CID 114669155

IUPAC(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H20ClN3O/c1-2-6-17-12(11(14)8-16-17)13(18)9-4-3-5-10(15)7-9/h8-10H,2-7,15H2,1H3
InChIKeyAGCHCABMIRHYST-UHFFFAOYSA-N
MW269.78 g/mol
LogP2.65
Rot. Bonds4

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

(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (PubChem CID 114669155) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
PubChem CID114669155
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
SMILESCCCn1ncc(Cl)c1C(=O)C1CCCC(N)C1
InChIInChI=1S/C13H20ClN3O/c1-2-6-17-12(11(14)8-16-17)13(18)9-4-3-5-10(15)7-9/h8-10H,2-7,15H2,1H3
InChIKeyAGCHCABMIRHYST-UHFFFAOYSA-N
XLogP2.65
TPSA60.91 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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-propylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640796
(3-amino-2-bicyclo[2.2.1]heptanyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669718
(4-aminocyclopent-2-en-1-yl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114669928
(4-chloro-1-propylpyrazol-5-yl)-(1,1-dioxothiolan-3-yl)methanone
CID 114641985
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
(4-chloro-1-ethylpyrazol-5-yl)-(3-ethylcyclopentyl)methanone
CID 114640787
2-amino-1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668636
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640692
(4-chloro-1-propylpyrazol-5-yl)-(3-methyl-1,4-dithian-2-yl)methanone
CID 114642014
[4-(aminomethyl)cyclohexyl]-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methanone
CID 114670290
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The IUPAC name of (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone (CID 114669155) is (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The canonical SMILES for (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is CCCn1ncc(Cl)c1C(=O)C1CCCC(N)C1.
What is the InChIKey of (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
The InChIKey is AGCHCABMIRHYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-2-6-17-12(11(14)8-16-17)13(18)9-4-3-5-10(15)7-9/h8-10H,2-7,15H2,1H3.
What are the key properties of (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone?
(3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone has a molecular weight of 269.78 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-(4-chloro-1-propylpyrazol-5-yl)methanone is sourced from PubChem (CID 114669155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).