3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

C10H19N3O — CID 43662494

IUPAC3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCC(C)OCCCNCc1ccn[nH]1
InChIInChI=1S/C10H19N3O/c1-9(2)14-7-3-5-11-8-10-4-6-12-13-10/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyJFAGBZWRKORNCL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.31
Rot. Bonds7

About 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine

3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (PubChem CID 43662494) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
PubChem CID43662494
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
SMILESCC(C)OCCCNCc1ccn[nH]1
InChIInChI=1S/C10H19N3O/c1-9(2)14-7-3-5-11-8-10-4-6-12-13-10/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,12,13)
InChIKeyJFAGBZWRKORNCL-UHFFFAOYSA-N
XLogP1.31
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.31
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-phenoxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine
CID 55068927
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
3-propan-2-yloxy-N-(pyridin-4-ylmethyl)propan-1-amine;hydrochloride
CID 17206477
N'-(3-methoxypropyl)-N'-methyl-N-(1H-pyrazol-5-ylmethyl)ethane-1,2-diamine
CID 115655056
N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-sulfonamide
CID 102692436
N-(1H-indazol-7-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 71923123
N-[3-(1H-pyrazol-5-ylmethylamino)propyl]ethanesulfonamide
CID 115607773
ethyl 4-(1H-pyrazol-5-ylmethylamino)butanoate
CID 64578531
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 122166141
N-[2-(1H-pyrazol-5-ylmethylamino)ethyl]methanesulfonamide
CID 43662504
N-[(4-chlorophenyl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
CID 17206435

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine (CID 43662494) is 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is CC(C)OCCCNCc1ccn[nH]1.
What is the InChIKey of 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
The InChIKey is JFAGBZWRKORNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-9(2)14-7-3-5-11-8-10-4-6-12-13-10/h4,6,9,11H,3,5,7-8H2,1-2H3,(H,12,13).
What are the key properties of 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine?
3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(1H-pyrazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 43662494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).