1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

C15H21N3O — CID 64772319

IUPAC1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2ccn(C(C)C)n2)c1
InChIInChI=1S/C15H21N3O/c1-11(2)18-8-7-14(17-18)10-19-15-6-4-5-13(9-15)12(3)16/h4-9,11-12H,10,16H2,1-3H3
InChIKeyDDPQVURELATCMW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.06
Rot. Bonds5

About 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine

1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (PubChem CID 64772319) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
PubChem CID64772319
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1cccc(OCc2ccn(C(C)C)n2)c1
InChIInChI=1S/C15H21N3O/c1-11(2)18-8-7-14(17-18)10-19-15-6-4-5-13(9-15)12(3)16/h4-9,11-12H,10,16H2,1-3H3
InChIKeyDDPQVURELATCMW-UHFFFAOYSA-N
XLogP3.06
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 64771249
trifluoro-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]boranuide
CID 64773108
1-(3-methoxyphenyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 64771008
(1S)-1-[3-[(3-methylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66139527
1-[3-[(2-methyltetrazol-5-yl)methoxy]phenyl]ethanamine
CID 107041075
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 64771424
(1S)-1-[3-[(3-ethylimidazol-4-yl)methoxy]phenyl]ethanamine
CID 66152982
4-[4-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]butan-2-amine
CID 64772318
3-[(1-pentan-3-ylpyrazol-3-yl)methoxy]aniline
CID 64799429
1-butan-2-yl-3-[(3-methylphenoxy)methyl]pyrazole
CID 64779517
(1R)-1-[3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]ethanamine
CID 79027120
(1S)-1-[3-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanamine
CID 55191156

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine (CID 64772319) is 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is CC(N)c1cccc(OCc2ccn(C(C)C)n2)c1.
What is the InChIKey of 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
The InChIKey is DDPQVURELATCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-8-7-14(17-18)10-19-15-6-4-5-13(9-15)12(3)16/h4-9,11-12H,10,16H2,1-3H3.
What are the key properties of 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine?
1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 64772319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).