1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine

C15H27N3O — CID 131916675

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCOCC1(CNC(C)Cn2nc(C)cc2C)CCC1
InChIInChI=1S/C15H27N3O/c1-12-8-14(3)18(17-12)9-13(2)16-10-15(11-19-4)6-5-7-15/h8,13,16H,5-7,9-11H2,1-4H3
InChIKeyZZJLNDAWSZIWRD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.29
Rot. Bonds7

About 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine

1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine (PubChem CID 131916675) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine
PubChem CID131916675
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine
SMILESCOCC1(CNC(C)Cn2nc(C)cc2C)CCC1
InChIInChI=1S/C15H27N3O/c1-12-8-14(3)18(17-12)9-13(2)16-10-15(11-19-4)6-5-7-15/h8,13,16H,5-7,9-11H2,1-4H3
InChIKeyZZJLNDAWSZIWRD-UHFFFAOYSA-N
XLogP2.29
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 125436312
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
methyl 3-(3,5-dimethylpyrazol-1-yl)-2-methylpropanoate
CID 43538173
1-(2-ethylimidazol-1-yl)-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-2-amine
CID 122565585
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
(2R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197767
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]propan-2-amine
CID 95201478
(2R)-N-[[1-(methoxymethyl)cyclobutyl]methyl]-3-methyl-1-pyrazol-1-ylbutan-2-amine
CID 124736967
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]cyclobutanamine
CID 91636205
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
1-(3,5-dimethylpyrazol-1-yl)-N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)propan-2-amine
CID 56718473
(2S)-1-(3,5-dimethylpyrazol-1-yl)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 95205420

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine (CID 131916675) is 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine is COCC1(CNC(C)Cn2nc(C)cc2C)CCC1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine?
The InChIKey is ZZJLNDAWSZIWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12-8-14(3)18(17-12)9-13(2)16-10-15(11-19-4)6-5-7-15/h8,13,16H,5-7,9-11H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[[1-(methoxymethyl)cyclobutyl]methyl]propan-2-amine is sourced from PubChem (CID 131916675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).