N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine

C13H23N3O — CID 105025317

IUPACN-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1ccn(C)n1
InChIInChI=1S/C13H23N3O/c1-14-11(5-6-13-4-3-9-17-13)10-12-7-8-16(2)15-12/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyFJJGVTCXASKXEG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.51
Rot. Bonds6

About N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine

N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine (PubChem CID 105025317) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine
PubChem CID105025317
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine
SMILESCNC(CCC1CCCO1)Cc1ccn(C)n1
InChIInChI=1S/C13H23N3O/c1-14-11(5-6-13-4-3-9-17-13)10-12-7-8-16(2)15-12/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyFJJGVTCXASKXEG-UHFFFAOYSA-N
XLogP1.51
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-butan-2-ylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105312572
N-methyl-4-(oxolan-2-yl)-1-(4-propan-2-ylphenyl)butan-2-amine
CID 115844160
N-[(1-methylpyrazol-3-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 124559394
1-(2-ethyl-5-methylpyrazol-3-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 105002584
N-methyl-4-(oxolan-2-yl)-1-(1,3-thiazol-2-yl)butan-2-amine
CID 105014941
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 104994465
1-(3-fluorophenyl)-N-methyl-4-(oxolan-2-yl)butan-2-amine
CID 65164492
1-(3,4-dimethylphenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 63952361
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105035142
N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-4-(oxolan-2-yl)butan-2-amine
CID 104999928
1-(3,5-difluorophenyl)-N-methyl-4-(oxan-2-yl)butan-2-amine
CID 105412438
N-methyl-4-(oxan-2-yl)-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 115829168

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine (CID 105025317) is N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine is CNC(CCC1CCCO1)Cc1ccn(C)n1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine?
The InChIKey is FJJGVTCXASKXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-14-11(5-6-13-4-3-9-17-13)10-12-7-8-16(2)15-12/h7-8,11,13-14H,3-6,9-10H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine?
N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-3-yl)-4-(oxolan-2-yl)butan-2-amine is sourced from PubChem (CID 105025317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).