N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine

C15H27N3O — CID 114667107

IUPACN-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H27N3O/c1-5-16-9-12-7-6-8-13(12)15-14(19-4)10-17-18(15)11(2)3/h10-13,16H,5-9H2,1-4H3
InChIKeyGXPJVNBRAQGHSP-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.97
Rot. Bonds6

About N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine

N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine (PubChem CID 114667107) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine
PubChem CID114667107
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC NameN-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine
SMILESCCNCC1CCCC1c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H27N3O/c1-5-16-9-12-7-6-8-13(12)15-14(19-4)10-17-18(15)11(2)3/h10-13,16H,5-9H2,1-4H3
InChIKeyGXPJVNBRAQGHSP-UHFFFAOYSA-N
XLogP2.97
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine?
The IUPAC name of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine (CID 114667107) is N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine?
The canonical SMILES for N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine is CCNCC1CCCC1c1c(OC)cnn1C(C)C.
What is the InChIKey of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine?
The InChIKey is GXPJVNBRAQGHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-16-9-12-7-6-8-13(12)15-14(19-4)10-17-18(15)11(2)3/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine?
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine has a molecular weight of 265.40 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine is sourced from PubChem (CID 114667107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).