3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine

C15H26ClN3O — CID 106469313

IUPAC3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C15H26ClN3O/c1-4-12-15(16)14(19(6-3)18-12)9-11-10-20-8-7-13(11)17-5-2/h11,13,17H,4-10H2,1-3H3
InChIKeyPCWGNIJDZQDFSR-UHFFFAOYSA-N
MW299.85 g/mol
LogP2.68
Rot. Bonds6

About 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine (PubChem CID 106469313) has the molecular formula C15H26ClN3O and a molecular weight of 299.85 g/mol. Its IUPAC name is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
PubChem CID106469313
Molecular FormulaC15H26ClN3O
Molecular Weight299.85 g/mol
Exact Mass299.18
IUPAC Name3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1Cc1c(Cl)c(CC)nn1CC
InChIInChI=1S/C15H26ClN3O/c1-4-12-15(16)14(19(6-3)18-12)9-11-10-20-8-7-13(11)17-5-2/h11,13,17H,4-10H2,1-3H3
InChIKeyPCWGNIJDZQDFSR-UHFFFAOYSA-N
XLogP2.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469312
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468968
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469545
N-[[2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81027132
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468967
(3R,4R)-3-[(4-chlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177537
N-ethyl-3-[(1-methylpyrazol-4-yl)methyl]oxan-4-amine
CID 106469390
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
CID 106469287
N-ethyl-3-[(1-methylindazol-3-yl)methyl]oxan-4-amine
CID 106469419
2-(4-chloro-1,3-diethylpyrazol-5-yl)-N-ethyl-1-(3-methyloxolan-2-yl)ethanamine
CID 105001400
2-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]cycloheptane-1-carboxylic acid
CID 81013078

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine (CID 106469313) is 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine is CCNC1CCOCC1Cc1c(Cl)c(CC)nn1CC.
What is the InChIKey of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
The InChIKey is PCWGNIJDZQDFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O/c1-4-12-15(16)14(19(6-3)18-12)9-11-10-20-8-7-13(11)17-5-2/h11,13,17H,4-10H2,1-3H3.
What are the key properties of 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine has a molecular weight of 299.85 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 106469313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).