1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine

C15H27ClN4O — CID 114656662

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCOCCn1ncc(Cl)c1C(N)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H27ClN4O/c1-15(2,19-7-5-4-6-8-19)14(17)13-12(16)11-18-20(13)9-10-21-3/h11,14H,4-10,17H2,1-3H3
InChIKeyRRBMMDLDADAAND-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.45
Rot. Bonds6

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine (PubChem CID 114656662) has the molecular formula C15H27ClN4O and a molecular weight of 314.86 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
PubChem CID114656662
Molecular FormulaC15H27ClN4O
Molecular Weight314.86 g/mol
Exact Mass314.19
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
SMILESCOCCn1ncc(Cl)c1C(N)C(C)(C)N1CCCCC1
InChIInChI=1S/C15H27ClN4O/c1-15(2,19-7-5-4-6-8-19)14(17)13-12(16)11-18-20(13)9-10-21-3/h11,14H,4-10,17H2,1-3H3
InChIKeyRRBMMDLDADAAND-UHFFFAOYSA-N
XLogP2.45
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine 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

1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656663
1-(4-chloro-1-ethylpyrazol-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656613
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656616
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 114641095
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methylcyclopropyl)methanamine
CID 114658538
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanamine
CID 114657526
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanamine
CID 105054471
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylpropan-1-amine
CID 114656654
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,6-dichlorophenyl)ethanamine
CID 114649068
7-bicyclo[4.1.0]heptanyl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanol
CID 115839462

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine (CID 114656662) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine is COCCn1ncc(Cl)c1C(N)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
The InChIKey is RRBMMDLDADAAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4O/c1-15(2,19-7-5-4-6-8-19)14(17)13-12(16)11-18-20(13)9-10-21-3/h11,14H,4-10,17H2,1-3H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine has a molecular weight of 314.86 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 114656662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).