N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

C12H21N3O — CID 115624288

IUPACN-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CNCC2(C)COC2)cn1
InChIInChI=1S/C12H21N3O/c1-10(2)15-6-11(5-14-15)4-13-7-12(3)8-16-9-12/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyMIHWNHORGJAOKU-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.59
Rot. Bonds5

About N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine

N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (PubChem CID 115624288) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
PubChem CID115624288
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
SMILESCC(C)n1cc(CNCC2(C)COC2)cn1
InChIInChI=1S/C12H21N3O/c1-10(2)15-6-11(5-14-15)4-13-7-12(3)8-16-9-12/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyMIHWNHORGJAOKU-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclopropyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103724276
1-(1-ethylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957579
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
1-(1-benzylpyrazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 78957130
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]oxan-3-amine
CID 113347999
2-cyclopropyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 115623017
2-[(1-propan-2-ylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 126967018
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 103724220
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine (CID 115624288) is N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is CC(C)n1cc(CNCC2(C)COC2)cn1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
The InChIKey is MIHWNHORGJAOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10(2)15-6-11(5-14-15)4-13-7-12(3)8-16-9-12/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine?
N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115624288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).