1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

C16H23N3O — CID 60972184

IUPAC1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(C)Oc1ccc(C(C)NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)20-15-7-5-14(6-8-15)12(3)18-13(4)16-9-10-17-19-16/h5-13,18H,1-4H3,(H,17,19)
InChIKeyUCOHHURAJXMPTO-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.61
Rot. Bonds6

About 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine

1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (PubChem CID 60972184) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
PubChem CID60972184
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
SMILESCC(C)Oc1ccc(C(C)NC(C)c2ccn[nH]2)cc1
InChIInChI=1S/C16H23N3O/c1-11(2)20-15-7-5-14(6-8-15)12(3)18-13(4)16-9-10-17-19-16/h5-13,18H,1-4H3,(H,17,19)
InChIKeyUCOHHURAJXMPTO-UHFFFAOYSA-N
XLogP3.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 66242814
(1R)-1-(4-methylphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81349237
(1R)-1-(4-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81355261
4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 60972429
1-(4-propan-2-yloxyphenyl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43202622
N-(dicyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 43100411
N-[1-(5-methylfuran-2-yl)ethyl]-1-(1H-pyrazol-5-yl)ethanamine
CID 60971542
(1R)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81390762
(1S)-1-cycloheptyl-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81388692
(1R)-1-(3-bromophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 81371761
1-(3-fluorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881269
(1R)-N-methyl-1-(4-propan-2-yloxyphenyl)ethanamine
CID 30049099

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine (CID 60972184) is 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is CC(C)Oc1ccc(C(C)NC(C)c2ccn[nH]2)cc1.
What is the InChIKey of 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
The InChIKey is UCOHHURAJXMPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)20-15-7-5-14(6-8-15)12(3)18-13(4)16-9-10-17-19-16/h5-13,18H,1-4H3,(H,17,19).
What are the key properties of 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine?
1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxyphenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine is sourced from PubChem (CID 60972184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).