N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

C14H25ClN4O — CID 50959071

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCc1nn(C)c(Cl)c1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C14H25ClN4O/c1-11(19-5-7-20-8-6-19)9-17(3)10-13-12(2)16-18(4)14(13)15/h11H,5-10H2,1-4H3
InChIKeyUYNBHIFDWWRGKD-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.53
Rot. Bonds5

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (PubChem CID 50959071) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
PubChem CID50959071
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
SMILESCc1nn(C)c(Cl)c1CN(C)CC(C)N1CCOCC1
InChIInChI=1S/C14H25ClN4O/c1-11(19-5-7-20-8-6-19)9-17(3)10-13-12(2)16-18(4)14(13)15/h11H,5-10H2,1-4H3
InChIKeyUYNBHIFDWWRGKD-UHFFFAOYSA-N
XLogP1.53
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-cyclopentylpiperazin-2-yl}ethanol
CID 16189807
2-{4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-isobutyl-2-piperazinyl}ethanol
CID 16190662
2-[4-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16191993
4-[[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl](morpholino)methyl]morpholine
CID 1488900
N-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-(tetrahydro-2H-pyran-4-ylmethyl)ethanamine
CID 50957525
(2S)-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 95124962
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95326355
N-[[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]-1-[(2S)-4-ethylmorpholin-2-yl]methanamine
CID 95345344
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 37800458
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-(2-methylpiperidin-1-yl)ethanamine
CID 50952219

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine (CID 50959071) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is Cc1nn(C)c(Cl)c1CN(C)CC(C)N1CCOCC1.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
The InChIKey is UYNBHIFDWWRGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-11(19-5-7-20-8-6-19)9-17(3)10-13-12(2)16-18(4)14(13)15/h11H,5-10H2,1-4H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine has a molecular weight of 300.83 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 50959071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).