N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine

C11H19N3O — CID 78921663

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C11H19N3O/c1-14-5-4-11(13-14)8-12-7-10-3-2-6-15-9-10/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyFZPZEGASWGJXNV-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine

N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine (PubChem CID 78921663) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
PubChem CID78921663
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
SMILESCn1ccc(CNCC2CCCOC2)n1
InChIInChI=1S/C11H19N3O/c1-14-5-4-11(13-14)8-12-7-10-3-2-6-15-9-10/h4-5,10,12H,2-3,6-9H2,1H3
InChIKeyFZPZEGASWGJXNV-UHFFFAOYSA-N
XLogP0.94
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 64799314
1-(3-methylcyclohexyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78921607
1-(oxan-3-yl)-N-[(2-phenyltriazol-4-yl)methyl]methanamine
CID 61019320
1-(1,1-dioxothiolan-3-yl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 78920808
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115592245
6-methyl-2-[[[(3R)-oxan-3-yl]methylamino]methyl]pyridin-3-ol
CID 129379259
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 79579340
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-(oxan-3-yl)methanamine
CID 61020728
N-(furan-3-ylmethyl)-1-(oxan-3-yl)methanamine
CID 63001698
1-[(3S)-oxan-3-yl]-N-[[(3S)-oxan-3-yl]methyl]methanamine
CID 129371205
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine (CID 78921663) is N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine is Cn1ccc(CNCC2CCCOC2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
The InChIKey is FZPZEGASWGJXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-5-4-11(13-14)8-12-7-10-3-2-6-15-9-10/h4-5,10,12H,2-3,6-9H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine?
N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine has a molecular weight of 209.29 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 78921663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).