N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine

C14H27N3O — CID 112591936

IUPACN-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)cnn1CCOC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)15-9-13-10-16-17(12(13)3)7-8-18-14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyOXWPMRLMHVGQBL-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.50
Rot. Bonds6

About N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 112591936) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID112591936
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1c(CNC(C)C)cnn1CCOC(C)(C)C
InChIInChI=1S/C14H27N3O/c1-11(2)15-9-13-10-16-17(12(13)3)7-8-18-14(4,5)6/h10-11,15H,7-9H2,1-6H3
InChIKeyOXWPMRLMHVGQBL-UHFFFAOYSA-N
XLogP2.50
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine (CID 112591936) is N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1c(CNC(C)C)cnn1CCOC(C)(C)C.
What is the InChIKey of N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is OXWPMRLMHVGQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)15-9-13-10-16-17(12(13)3)7-8-18-14(4,5)6/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 253.39 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 112591936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).