N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine

C17H25N3O — CID 43735003

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
SMILESCc1n[nH]c(C)c1CNC(C)c1ccccc1OC(C)C
InChIInChI=1S/C17H25N3O/c1-11(2)21-17-9-7-6-8-15(17)12(3)18-10-16-13(4)19-20-14(16)5/h6-9,11-12,18H,10H2,1-5H3,(H,19,20)
InChIKeyLZXHOFJSEZFGSR-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.66
Rot. Bonds6

About N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine (PubChem CID 43735003) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
PubChem CID43735003
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
SMILESCc1n[nH]c(C)c1CNC(C)c1ccccc1OC(C)C
InChIInChI=1S/C17H25N3O/c1-11(2)21-17-9-7-6-8-15(17)12(3)18-10-16-13(4)19-20-14(16)5/h6-9,11-12,18H,10H2,1-5H3,(H,19,20)
InChIKeyLZXHOFJSEZFGSR-UHFFFAOYSA-N
XLogP3.66
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81383005
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 60936477
1-(1,5-dimethylpyrazol-4-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43751995
(1R)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376295
1-(2-propan-2-yloxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 61169849
(1S)-1-(3-bromophenyl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81381287
1-(2-propan-2-yloxyphenyl)-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62749077
1-(2-propan-2-yloxyphenyl)-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43735008
3-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-1-amine
CID 132649493
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
N-[(4-bromothiophen-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43612823
1-cyclopropyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43645070

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine (CID 43735003) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine is Cc1n[nH]c(C)c1CNC(C)c1ccccc1OC(C)C.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
The InChIKey is LZXHOFJSEZFGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)21-17-9-7-6-8-15(17)12(3)18-10-16-13(4)19-20-14(16)5/h6-9,11-12,18H,10H2,1-5H3,(H,19,20).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1-(2-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 43735003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).