2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone

C15H24ClN3O — CID 114671327

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(Cl)c1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H24ClN3O/c1-2-8-19-14(12(16)10-18-19)13(20)9-15(11-17)6-4-3-5-7-15/h10H,2-9,11,17H2,1H3
InChIKeyGKJLVBPPPXQEDG-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.43
Rot. Bonds6

About 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone

2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone (PubChem CID 114671327) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
PubChem CID114671327
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
SMILESCCCn1ncc(Cl)c1C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C15H24ClN3O/c1-2-8-19-14(12(16)10-18-19)13(20)9-15(11-17)6-4-3-5-7-15/h10H,2-9,11,17H2,1H3
InChIKeyGKJLVBPPPXQEDG-UHFFFAOYSA-N
XLogP3.43
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-(aminomethyl)cyclobutyl]-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114670623
3-amino-1-(4-chloro-1-propylpyrazol-5-yl)propan-1-one
CID 114668210
1-(4-chloro-1-propylpyrazol-5-yl)butan-1-one
CID 114639264
[4-(aminomethyl)oxan-4-yl]-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114670803
6-amino-1-(4-chloro-1-propylpyrazol-5-yl)hexan-1-one
CID 114668173
(4-chloro-1-propylpyrazol-5-yl)-(3-methylpiperidin-3-yl)methanone
CID 114669182
1-(4-chloro-1-propylpyrazol-5-yl)octan-1-one
CID 115805677
[1-(aminomethyl)cyclohexyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114670686
(4-chloro-1-propylpyrazol-5-yl)-(5-methylpyrimidin-2-yl)methanone
CID 114642103
2-(1-aminocyclopentyl)-1-(4-chloro-1-methylpyrazol-5-yl)ethanone
CID 114669615
2-(azetidin-3-yl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanone
CID 114669802
2-(1-aminocyclopentyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanone
CID 114669614

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone (CID 114671327) is 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone is CCCn1ncc(Cl)c1C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
The InChIKey is GKJLVBPPPXQEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-2-8-19-14(12(16)10-18-19)13(20)9-15(11-17)6-4-3-5-7-15/h10H,2-9,11,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone has a molecular weight of 297.83 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-(4-chloro-1-propylpyrazol-5-yl)ethanone is sourced from PubChem (CID 114671327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).