N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine

C17H25N3O — CID 106757421

IUPACN-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NC(C)c1ccnn1C
InChIInChI=1S/C17H25N3O/c1-12(2)21-17-9-7-6-8-15(17)13(3)19-14(4)16-10-11-18-20(16)5/h6-14,19H,1-5H3
InChIKeySKMIMRODZHMVIU-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.62
Rot. Bonds6

About N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine

N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine (PubChem CID 106757421) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine
PubChem CID106757421
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine
SMILESCC(C)Oc1ccccc1C(C)NC(C)c1ccnn1C
InChIInChI=1S/C17H25N3O/c1-12(2)21-17-9-7-6-8-15(17)13(3)19-14(4)16-10-11-18-20(16)5/h6-14,19H,1-5H3
InChIKeySKMIMRODZHMVIU-UHFFFAOYSA-N
XLogP3.62
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757140
(1S)-1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757965
N-[(1R)-1-(furan-2-yl)ethyl]-1-(2-methylpyrazol-3-yl)ethanamine
CID 106757976
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-4-ylethanamine
CID 106756922
(1S)-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-pyridin-3-ylethanamine
CID 106757978
1-cyclohexyl-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757760
N-[[2-(difluoromethoxy)phenyl]-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858860
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1,5-dimethylpyrazol-4-yl)-(2-propan-2-yloxyphenyl)methanamine
CID 105170979
N-benzyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 106756794
1-(4-ethylphenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757173
1-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]propan-2-amine
CID 64631767

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
The IUPAC name of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine (CID 106757421) is N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine.
What is the SMILES notation for N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
The canonical SMILES for N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine is CC(C)Oc1ccccc1C(C)NC(C)c1ccnn1C.
What is the InChIKey of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
The InChIKey is SKMIMRODZHMVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12(2)21-17-9-7-6-8-15(17)13(3)19-14(4)16-10-11-18-20(16)5/h6-14,19H,1-5H3.
What are the key properties of N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine?
N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine has a molecular weight of 287.41 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpyrazol-3-yl)ethyl]-1-(2-propan-2-yloxyphenyl)ethanamine is sourced from PubChem (CID 106757421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).