3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine

C9H17N3O — CID 116800727

IUPAC3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
SMILESCC(C)n1cc(OCCCN)cn1
InChIInChI=1S/C9H17N3O/c1-8(2)12-7-9(6-11-12)13-5-3-4-10/h6-8H,3-5,10H2,1-2H3
InChIKeyBVLILZFHUYHUEA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds5

About 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine

3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 116800727) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
PubChem CID116800727
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
SMILESCC(C)n1cc(OCCCN)cn1
InChIInChI=1S/C9H17N3O/c1-8(2)12-7-9(6-11-12)13-5-3-4-10/h6-8H,3-5,10H2,1-2H3
InChIKeyBVLILZFHUYHUEA-UHFFFAOYSA-N
XLogP1.19
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-phenoxypropoxy)-1-propan-2-ylpyrazole
CID 116805200
N,N-dimethyl-2-(1-propan-2-ylpyrazol-4-yl)oxyethanamine
CID 116805301
4-[3-(2-methoxyethoxy)propoxy]-1-propan-2-ylpyrazole
CID 103414014
4-[2-(2-chloroethoxy)ethoxy]-1-propan-2-ylpyrazole
CID 116800947
4-(3-aminopropoxy)pyrazol-1-amine
CID 117229962
4-methyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pentan-1-amine
CID 116803962
4-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]morpholine
CID 116805370
N',N'-dimethyl-N-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]ethane-1,2-diamine
CID 116803927
4-[(4-chlorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805404
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyethyl]pyridin-2-one
CID 116805480

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine (CID 116800727) is 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine is CC(C)n1cc(OCCCN)cn1.
What is the InChIKey of 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is BVLILZFHUYHUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-8(2)12-7-9(6-11-12)13-5-3-4-10/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine?
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 183.25 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 116800727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).