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

C17H31N3O — CID 65165270

IUPACN-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(CCCC2CCCO2)c(C)c1CNC(C)(C)C
InChIInChI=1S/C17H31N3O/c1-13-16(12-18-17(3,4)5)14(2)20(19-13)10-6-8-15-9-7-11-21-15/h15,18H,6-12H2,1-5H3
InChIKeyKBDAUDGNOACCPM-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.35
Rot. Bonds6

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

N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 65165270) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID65165270
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nn(CCCC2CCCO2)c(C)c1CNC(C)(C)C
InChIInChI=1S/C17H31N3O/c1-13-16(12-18-17(3,4)5)14(2)20(19-13)10-6-8-15-9-7-11-21-15/h15,18H,6-12H2,1-5H3
InChIKeyKBDAUDGNOACCPM-UHFFFAOYSA-N
XLogP3.35
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]ethyl]propan-2-amine
CID 65165350
2-methyl-N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 65172378
4-(chloromethyl)-3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazole
CID 65161690
2-[3,5-dimethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 65165295
3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
CID 65165875
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62731903
1-(oxolan-2-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
CID 43180702
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168
N-tert-butyl-7-(oxolan-2-yl)hept-3-en-1-amine
CID 79598771
4-methyl-2-[3-(oxolan-2-yl)propyl]-1,2,4-triazol-3-one
CID 116626772
[6-(oxolan-2-yl)-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-yl]hydrazine
CID 105314157
2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172329

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 65165270) is N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is Cc1nn(CCCC2CCCO2)c(C)c1CNC(C)(C)C.
What is the InChIKey of N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KBDAUDGNOACCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-16(12-18-17(3,4)5)14(2)20(19-13)10-6-8-15-9-7-11-21-15/h15,18H,6-12H2,1-5H3.
What are the key properties of N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.35, 6 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-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65165270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).