N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

C14H21ClN4O — CID 79242304

IUPACN-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCCc1nn(C)c(CNC(C)c2c(C)noc2C)c1Cl
InChIInChI=1S/C14H21ClN4O/c1-6-11-14(15)12(19(5)17-11)7-16-8(2)13-9(3)18-20-10(13)4/h8,16H,6-7H2,1-5H3
InChIKeyCAFNAFBBZKMAQC-UHFFFAOYSA-N
MW296.80 g/mol
LogP3.09
Rot. Bonds5

About N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine

N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (PubChem CID 79242304) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
PubChem CID79242304
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC NameN-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
SMILESCCc1nn(C)c(CNC(C)c2c(C)noc2C)c1Cl
InChIInChI=1S/C14H21ClN4O/c1-6-11-14(15)12(19(5)17-11)7-16-8(2)13-9(3)18-20-10(13)4/h8,16H,6-7H2,1-5H3
InChIKeyCAFNAFBBZKMAQC-UHFFFAOYSA-N
XLogP3.09
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]ethanamine
CID 112549544
(1R)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81374430
4-bromo-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]butan-2-amine
CID 83188403
(1S)-N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 81365053
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 79237242
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-(2-methylpropoxy)methanamine
CID 82714391
N-[(3-chloro-4-pyridinyl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine
CID 79241523
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
6-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]hexan-1-ol
CID 113428834
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-ethyl-4-methylhexan-2-amine
CID 104998438
5-[[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]methyl]-N,N-diethyl-1,3-thiazol-2-amine
CID 78961443
1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-ethoxyphenyl)methyl]ethanamine
CID 78961504

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The IUPAC name of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine (CID 79242304) is N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is CCc1nn(C)c(CNC(C)c2c(C)noc2C)c1Cl.
What is the InChIKey of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
The InChIKey is CAFNAFBBZKMAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-6-11-14(15)12(19(5)17-11)7-16-8(2)13-9(3)18-20-10(13)4/h8,16H,6-7H2,1-5H3.
What are the key properties of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine?
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine has a molecular weight of 296.80 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethanamine is sourced from PubChem (CID 79242304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).