N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine

C12H21N3O — CID 105481100

IUPACN-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCNCCCc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H21N3O/c1-13-6-2-3-11-9-14-15(10-11)12-4-7-16-8-5-12/h9-10,12-13H,2-8H2,1H3
InChIKeyOJAYFHLVBUAKNJ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.39
Rot. Bonds5

About N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine

N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine (PubChem CID 105481100) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
PubChem CID105481100
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine
SMILESCNCCCc1cnn(C2CCOCC2)c1
InChIInChI=1S/C12H21N3O/c1-13-6-2-3-11-9-14-15(10-11)12-4-7-16-8-5-12/h9-10,12-13H,2-8H2,1H3
InChIKeyOJAYFHLVBUAKNJ-UHFFFAOYSA-N
XLogP1.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.39
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-(2-bromoethyl)-1-(oxan-4-yl)pyrazole
CID 164658352
2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine
CID 63937711
3-(1-cyclopropylpyrazol-4-yl)propan-1-amine
CID 84764974
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626
3-(1-cycloheptylpyrazol-4-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62719507
ethane;4-ethyl-1-(oxolan-3-yl)pyrazole
CID 164911737
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
3-(1-methylpyrazol-4-yl)-N-(oxolan-3-ylmethyl)propan-1-amine
CID 115887397
N-methyl-1-[1-(4-methylcyclohexyl)pyrazol-4-yl]methanamine
CID 64776111
N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564015
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
CID 129462871

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine (CID 105481100) is N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine is CNCCCc1cnn(C2CCOCC2)c1.
What is the InChIKey of N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
The InChIKey is OJAYFHLVBUAKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-13-6-2-3-11-9-14-15(10-11)12-4-7-16-8-5-12/h9-10,12-13H,2-8H2,1H3.
What are the key properties of N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine?
N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-(oxan-4-yl)pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 105481100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).