N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine

C14H24ClN3O — CID 50957525

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1c(C)nn(C)c1Cl)CC1CCOCC1
InChIInChI=1S/C14H24ClN3O/c1-4-18(9-12-5-7-19-8-6-12)10-13-11(2)16-17(3)14(13)15/h12H,4-10H2,1-3H3
InChIKeyKBUANDPNLSRYAB-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.63
Rot. Bonds5

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine (PubChem CID 50957525) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine
PubChem CID50957525
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine
SMILESCCN(Cc1c(C)nn(C)c1Cl)CC1CCOCC1
InChIInChI=1S/C14H24ClN3O/c1-4-18(9-12-5-7-19-8-6-12)10-13-11(2)16-17(3)14(13)15/h12H,4-10H2,1-3H3
InChIKeyKBUANDPNLSRYAB-UHFFFAOYSA-N
XLogP2.63
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190859
2-{4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
CID 16190662
(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95124962
1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidine
CID 65539116
1-[1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-2,2,2-trifluoroethanol
CID 112327091
[1-[1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
CID 45184442
4-[1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]morpholine
CID 45215473
N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 50959071
1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-methylpiperidine
CID 58990405
1-[(5-Chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidine-4-carbaldehyde
CID 62655587
Ethane;3,4,5-trimethyl-1-(oxan-4-ylmethyl)pyrazole
CID 145363929
N-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 4792453

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine (CID 50957525) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine is CCN(Cc1c(C)nn(C)c1Cl)CC1CCOCC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
The InChIKey is KBUANDPNLSRYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-4-18(9-12-5-7-19-8-6-12)10-13-11(2)16-17(3)14(13)15/h12H,4-10H2,1-3H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine has a molecular weight of 285.82 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-(oxan-4-ylmethyl)ethanamine is sourced from PubChem (CID 50957525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).