N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine

C15H27N3O — CID 112550179

IUPACN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
SMILESCCc1nn(C)cc1CNC1CCOC(C(C)C)C1
InChIInChI=1S/C15H27N3O/c1-5-14-12(10-18(4)17-14)9-16-13-6-7-19-15(8-13)11(2)3/h10-11,13,15-16H,5-9H2,1-4H3
InChIKeyQGZCKYZWWNUYLC-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.28
Rot. Bonds5

About N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine (PubChem CID 112550179) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine.

Molecular Properties

Compound NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
PubChem CID112550179
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine
SMILESCCc1nn(C)cc1CNC1CCOC(C(C)C)C1
InChIInChI=1S/C15H27N3O/c1-5-14-12(10-18(4)17-14)9-16-13-6-7-19-15(8-13)11(2)3/h10-11,13,15-16H,5-9H2,1-4H3
InChIKeyQGZCKYZWWNUYLC-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
2-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]oxan-4-amine
CID 103887861
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 112549288
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylthiolan-3-amine
CID 112668397
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-phenylcyclobutan-1-amine
CID 115885655
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]oxolan-3-amine
CID 129005127
3-(4-chlorophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 115989278
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)propan-1-amine
CID 113347464

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine?
The IUPAC name of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine (CID 112550179) is N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine.
What is the SMILES notation for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine?
The canonical SMILES for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine is CCc1nn(C)cc1CNC1CCOC(C(C)C)C1.
What is the InChIKey of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine?
The InChIKey is QGZCKYZWWNUYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-14-12(10-18(4)17-14)9-16-13-6-7-19-15(8-13)11(2)3/h10-11,13,15-16H,5-9H2,1-4H3.
What are the key properties of N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine?
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine has a molecular weight of 265.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-propan-2-yloxan-4-amine is sourced from PubChem (CID 112550179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).