1-methyl-N-(oxan-4-yl)pyrazol-4-amine

C9H15N3O — CID 43608643

IUPAC1-methyl-N-(oxan-4-yl)pyrazol-4-amine
SMILESCn1cc(NC2CCOCC2)cn1
InChIInChI=1S/C9H15N3O/c1-12-7-9(6-10-12)11-8-2-4-13-5-3-8/h6-8,11H,2-5H2,1H3
InChIKeyQSCAGDQZSRZPOH-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds2

About 1-methyl-N-(oxan-4-yl)pyrazol-4-amine

1-methyl-N-(oxan-4-yl)pyrazol-4-amine (PubChem CID 43608643) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-methyl-N-(oxan-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(oxan-4-yl)pyrazol-4-amine
PubChem CID43608643
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-methyl-N-(oxan-4-yl)pyrazol-4-amine
SMILESCn1cc(NC2CCOCC2)cn1
InChIInChI=1S/C9H15N3O/c1-12-7-9(6-10-12)11-8-2-4-13-5-3-8/h6-8,11H,2-5H2,1H3
InChIKeyQSCAGDQZSRZPOH-UHFFFAOYSA-N
XLogP1.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281503
1-(methoxymethyl)-1H-pyrazol-4-amine
CID 7017634
1-[2-(morpholin-4-yl)ethyl]-1H-pyrazol-4-amine
CID 28394826
1-(2-methoxyethyl)-1H-pyrazol-4-amine
CID 42281885
1-(1-methyl-1H-pyrazol-4-yl)piperazine
CID 56828582
2-[4-(methylamino)-1H-pyrazol-1-yl]ethan-1-ol
CID 59686773
1-(oxan-2-yl)-1H-pyrazol-4-amine
CID 83814631
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
N-[(2S)-4-methoxy-4-methylpentan-2-yl]-1-propylpyrazol-4-amine
CID 97338511
N-(4-pyrazol-1-ylbutan-2-yl)oxan-4-amine
CID 110209293
N-(1-methylpyrazol-4-yl)-3-(oxan-4-yloxy)propanamide
CID 136513566

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(oxan-4-yl)pyrazol-4-amine?
The IUPAC name of 1-methyl-N-(oxan-4-yl)pyrazol-4-amine (CID 43608643) is 1-methyl-N-(oxan-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-(oxan-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-(oxan-4-yl)pyrazol-4-amine is Cn1cc(NC2CCOCC2)cn1.
What is the InChIKey of 1-methyl-N-(oxan-4-yl)pyrazol-4-amine?
The InChIKey is QSCAGDQZSRZPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-7-9(6-10-12)11-8-2-4-13-5-3-8/h6-8,11H,2-5H2,1H3.
What are the key properties of 1-methyl-N-(oxan-4-yl)pyrazol-4-amine?
1-methyl-N-(oxan-4-yl)pyrazol-4-amine has a molecular weight of 181.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(oxan-4-yl)pyrazol-4-amine is sourced from PubChem (CID 43608643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).