1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine

C13H23N3O2 — CID 45183644

IUPAC1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CN(C)CC2COCCO2)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-6-11(14-15-13)7-16(3)8-12-9-17-4-5-18-12/h6,10,12H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyPGGCDQPWGDDDSE-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.38
Rot. Bonds5

About 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine

1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine (PubChem CID 45183644) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine
PubChem CID45183644
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CN(C)CC2COCCO2)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-10(2)13-6-11(14-15-13)7-16(3)8-12-9-17-4-5-18-12/h6,10,12H,4-5,7-9H2,1-3H3,(H,14,15)
InChIKeyPGGCDQPWGDDDSE-UHFFFAOYSA-N
XLogP1.38
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine with MolForge

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Related Compounds

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(3S*,4S*)-1-[(5-tert-butyl-1H-pyrazol-3-yl)methyl]-4-methylpiperidine-3,4-diol
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1-[(6S)-4-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,4-oxazepan-6-yl]-N,N-dimethylmethanamine
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1-(2-methoxyethyl)-4-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine (CID 45183644) is 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine is CC(C)c1cc(CN(C)CC2COCCO2)[nH]n1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
The InChIKey is PGGCDQPWGDDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-10(2)13-6-11(14-15-13)7-16(3)8-12-9-17-4-5-18-12/h6,10,12H,4-5,7-9H2,1-3H3,(H,14,15).
What are the key properties of 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine?
1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine has a molecular weight of 253.35 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-methyl-N-[(3-propan-2-yl-1H-pyrazol-5-yl)methyl]methanamine is sourced from PubChem (CID 45183644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).