3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine

C14H19N3O — CID 62380024

IUPAC3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCOc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C14H19N3O/c1-12(14-8-10-16-17-14)15-9-5-11-18-13-6-3-2-4-7-13/h2-4,6-8,10,12,15H,5,9,11H2,1H3,(H,16,17)
InChIKeyOJBCLVRWOHJLBE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.53
Rot. Bonds7

About 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine

3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine (PubChem CID 62380024) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
PubChem CID62380024
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
SMILESCC(NCCCOc1ccccc1)c1ccn[nH]1
InChIInChI=1S/C14H19N3O/c1-12(14-8-10-16-17-14)15-9-5-11-18-13-6-3-2-4-7-13/h2-4,6-8,10,12,15H,5,9,11H2,1H3,(H,16,17)
InChIKeyOJBCLVRWOHJLBE-UHFFFAOYSA-N
XLogP2.53
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxy)-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine
CID 60972295
2,4-dimethyl-N-(3-phenoxypropyl)pentan-3-amine
CID 112743218
3-phenoxy-N-[(1R)-1-pyridin-4-ylethyl]propan-1-amine
CID 81409698
N-(2-ethoxyethyl)-1-(1H-pyrazol-5-yl)ethanamine
CID 60973145
N-[1-(2-methylpyrazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 106757757
3-phenoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 55068927
N-[(1R)-1-(2-bromophenyl)ethyl]-3-phenoxypropan-1-amine
CID 81383584
N-[1-(3,4-dimethylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 63476953
1-chloro-N-(3-phenoxypropyl)propan-2-amine
CID 65026073
4-methyl-N-(3-phenoxypropyl)pentan-2-amine
CID 62380766
3-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]propan-1-amine
CID 2183586
N-[(1R)-1-(3-methylphenyl)ethyl]-3-phenoxypropan-1-amine
CID 81361126

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
The IUPAC name of 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine (CID 62380024) is 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine is CC(NCCCOc1ccccc1)c1ccn[nH]1.
What is the InChIKey of 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
The InChIKey is OJBCLVRWOHJLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-12(14-8-10-16-17-14)15-9-5-11-18-13-6-3-2-4-7-13/h2-4,6-8,10,12,15H,5,9,11H2,1H3,(H,16,17).
What are the key properties of 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine?
3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine has a molecular weight of 245.33 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[1-(1H-pyrazol-5-yl)ethyl]propan-1-amine is sourced from PubChem (CID 62380024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).