N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C15H27N3O — CID 62731903

IUPACN-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(CC2CCOC2)c(C)c1CNC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11-14(8-16-15(3,4)5)12(2)18(17-11)9-13-6-7-19-10-13/h13,16H,6-10H2,1-5H3
InChIKeyRVWFUGHUBTUPCJ-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.42
Rot. Bonds4

About N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62731903) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62731903
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(CC2CCOC2)c(C)c1CNC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-11-14(8-16-15(3,4)5)12(2)18(17-11)9-13-6-7-19-10-13/h13,16H,6-10H2,1-5H3
InChIKeyRVWFUGHUBTUPCJ-UHFFFAOYSA-N
XLogP2.42
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 62731172
3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbaldehyde
CID 62726703
2-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]acetic acid
CID 62386249
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]ethanol
CID 62729993
1-[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2,2,2-trifluoroethanone
CID 63754607
N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65165270
4-bromo-5-methyl-2-(oxolan-3-ylmethyl)triazole
CID 123139283
N-[[3,5-dimethyl-1-(4,4,4-trifluorobutyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 115518214
5-amino-3-methyl-1-(oxolan-3-ylmethyl)pyrazole-4-carbonitrile
CID 75380519
5-bromo-4-methyl-1-(oxolan-3-ylmethyl)triazole
CID 123205395
N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 107137535
N-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 62407467

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 62731903) is N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1nn(CC2CCOC2)c(C)c1CNC(C)(C)C.
What is the InChIKey of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RVWFUGHUBTUPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-14(8-16-15(3,4)5)12(2)18(17-11)9-13-6-7-19-10-13/h13,16H,6-10H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62731903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).