N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine

C13H23N3O — CID 115809147

IUPACN-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1CCCCO1
InChIInChI=1S/C13H23N3O/c1-3-7-14-13(11-9-15-16(2)10-11)12-6-4-5-8-17-12/h9-10,12-14H,3-8H2,1-2H3
InChIKeyZAHODRYDZXUAKM-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.03
Rot. Bonds5

About N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine

N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine (PubChem CID 115809147) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
PubChem CID115809147
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnn(C)c1)C1CCCCO1
InChIInChI=1S/C13H23N3O/c1-3-7-14-13(11-9-15-16(2)10-11)12-6-4-5-8-17-12/h9-10,12-14H,3-8H2,1-2H3
InChIKeyZAHODRYDZXUAKM-UHFFFAOYSA-N
XLogP2.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-difluorophenyl)-(oxan-2-yl)methyl]propan-1-amine
CID 62213882
N-[(5-methyloxolan-3-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115809309
N-[(1-ethylpyrazol-4-yl)-(4-methylmorpholin-2-yl)methyl]propan-1-amine
CID 79093371
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031
N-[(3,5-dimethylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 65328759
N-[(4-bromophenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 43494552
N-[(3,5-dimethylcyclohexyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 65200078
N-[oxan-2-yl-(2,4,6-trimethylphenyl)methyl]propan-1-amine
CID 62213881
N-[2,3-dihydro-1,4-benzodioxin-6-yl(oxolan-2-yl)methyl]propan-1-amine
CID 43495861
N-[2-(1-methyltriazol-4-yl)-1-(oxan-2-yl)ethyl]propan-1-amine
CID 107064615
N-[(4-cyclobutylphenyl)-(oxolan-2-yl)methyl]propan-1-amine
CID 116506194
N-[(1,4-dimethylpiperazin-2-yl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 79658946

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine (CID 115809147) is N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine is CCCNC(c1cnn(C)c1)C1CCCCO1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine?
The InChIKey is ZAHODRYDZXUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-7-14-13(11-9-15-16(2)10-11)12-6-4-5-8-17-12/h9-10,12-14H,3-8H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine?
N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-(oxan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115809147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).