1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

C16H21N3O — CID 60976579

IUPAC1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CNCC3CCCCO3)cn2)cc1
InChIInChI=1S/C16H21N3O/c1-2-6-15(7-3-1)19-13-14(11-18-19)10-17-12-16-8-4-5-9-20-16/h1-3,6-7,11,13,16-17H,4-5,8-10,12H2
InChIKeyKPVVXGZXSANYCZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.53
Rot. Bonds5

About 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine

1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (PubChem CID 60976579) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
PubChem CID60976579
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
SMILESc1ccc(-n2cc(CNCC3CCCCO3)cn2)cc1
InChIInChI=1S/C16H21N3O/c1-2-6-15(7-3-1)19-13-14(11-18-19)10-17-12-16-8-4-5-9-20-16/h1-3,6-7,11,13,16-17H,4-5,8-10,12H2
InChIKeyKPVVXGZXSANYCZ-UHFFFAOYSA-N
XLogP2.53
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-oxan-2-yl]-N-[(1-phenylpyrazol-4-yl)methyl]methanesulfonamide
CID 95307548
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
3-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 103270639
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111407622
N-[(6-chloro-3-pyridinyl)methyl]-1-(oxan-2-yl)methanamine
CID 115683652
N-[(1-phenylpyrazol-4-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
CID 54896941
1-[[(1-phenylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 63932266
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
N-[[3-(2-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 41041101
(2R)-2-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 95280201

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine (CID 60976579) is 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is c1ccc(-n2cc(CNCC3CCCCO3)cn2)cc1.
What is the InChIKey of 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
The InChIKey is KPVVXGZXSANYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-6-15(7-3-1)19-13-14(11-18-19)10-17-12-16-8-4-5-9-20-16/h1-3,6-7,11,13,16-17H,4-5,8-10,12H2.
What are the key properties of 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine?
1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 60976579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).