3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine

C14H24ClN3O — CID 106469312

IUPAC3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C14H24ClN3O/c1-4-16-12-6-7-19-9-11(12)8-13-14(15)10(3)17-18(13)5-2/h11-12,16H,4-9H2,1-3H3
InChIKeyGONAQRQSGMHNMG-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.42
Rot. Bonds5

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

3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine (PubChem CID 106469312) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine.

Molecular Properties

Compound Name3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
PubChem CID106469312
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
SMILESCCNC1CCOCC1Cc1c(Cl)c(C)nn1CC
InChIInChI=1S/C14H24ClN3O/c1-4-16-12-6-7-19-9-11(12)8-13-14(15)10(3)17-18(13)5-2/h11-12,16H,4-9H2,1-3H3
InChIKeyGONAQRQSGMHNMG-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine
CID 106469313
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468967
3-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]oxan-4-amine
CID 106468968
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-propyloxan-4-amine
CID 106469534
3-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469545
(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
4-bromo-5-[(4-bromooxan-3-yl)methyl]-1-ethyl-3-methylpyrazole
CID 106471712
(3S,4S)-3-[(2,6-dichlorophenyl)methyl]-N-ethyloxan-4-amine
CID 97177512
[1-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-2-yl]hydrazine
CID 105265950
3-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-propyloxan-4-amine
CID 106469561
N-ethyl-3-[(1-pentan-3-ylpyrazol-3-yl)methyl]oxan-4-amine
CID 106469287

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
The IUPAC name of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine (CID 106469312) is 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine.
What is the SMILES notation for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
The canonical SMILES for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine is CCNC1CCOCC1Cc1c(Cl)c(C)nn1CC.
What is the InChIKey of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
The InChIKey is GONAQRQSGMHNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-4-16-12-6-7-19-9-11(12)8-13-14(15)10(3)17-18(13)5-2/h11-12,16H,4-9H2,1-3H3.
What are the key properties of 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine?
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine has a molecular weight of 285.82 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-ethyloxan-4-amine is sourced from PubChem (CID 106469312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).