N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine

C11H21N3O — CID 114526853

IUPACN,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCCCN(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-4-6-14-10-11(9-12-14)15-8-5-7-13(2)3/h9-10H,4-8H2,1-3H3
InChIKeyKGPYYKNZHOKEBS-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.62
Rot. Bonds7

About N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine

N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (PubChem CID 114526853) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
PubChem CID114526853
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine
SMILESCCCn1cc(OCCCN(C)C)cn1
InChIInChI=1S/C11H21N3O/c1-4-6-14-10-11(9-12-14)15-8-5-7-13(2)3/h9-10H,4-8H2,1-3H3
InChIKeyKGPYYKNZHOKEBS-UHFFFAOYSA-N
XLogP1.62
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-propoxy-1-propylpyrazole
CID 116805185
6-(1-propylpyrazol-4-yl)oxyhexan-1-ol
CID 107705463
N-propan-2-yl-6-(1-propylpyrazol-4-yl)oxyhexan-1-amine
CID 116803512
4-[3-(1-propylpyrazol-4-yl)oxypropyl]aniline
CID 114608509
2-(1-pentylpyrazol-4-yl)oxyethanamine
CID 164576517
2-(1-propylpyrazol-4-yl)oxyacetonitrile
CID 116805140
N-[3-(1-propylpyrazol-4-yl)oxypropyl]cyclohexanamine
CID 116803809
4-(5-chloro-3-methylpentoxy)-1-propylpyrazole
CID 116800930
N-ethyl-N-methyl-2-(1-propylpyrazol-4-yl)oxyacetamide
CID 116804991
1-ethyl-4-hexoxypyrazole
CID 116804751
N-(cyclopropylmethyl)-2-(1-propylpyrazol-4-yl)oxyethanamine
CID 116803867
4-(1-ethylpyrazol-4-yl)oxybutan-1-amine
CID 116800659

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine (CID 114526853) is N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is CCCn1cc(OCCCN(C)C)cn1.
What is the InChIKey of N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
The InChIKey is KGPYYKNZHOKEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-6-14-10-11(9-12-14)15-8-5-7-13(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine?
N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine has a molecular weight of 211.31 g/mol, XLogP of 1.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(1-propylpyrazol-4-yl)oxypropan-1-amine is sourced from PubChem (CID 114526853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).