N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine

C11H20N4O — CID 43663210

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1nccc1CNCCN1CCOCC1
InChIInChI=1S/C11H20N4O/c1-14-11(2-3-13-14)10-12-4-5-15-6-8-16-9-7-15/h2-3,12H,4-10H2,1H3
InChIKeyTXDRKXXCPBJSBT-UHFFFAOYSA-N
MW224.31 g/mol
LogP-0.16
Rot. Bonds5

About N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine

N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine (PubChem CID 43663210) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine
PubChem CID43663210
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine
SMILESCn1nccc1CNCCN1CCOCC1
InChIInChI=1S/C11H20N4O/c1-14-11(2-3-13-14)10-12-4-5-15-6-8-16-9-7-15/h2-3,12H,4-10H2,1H3
InChIKeyTXDRKXXCPBJSBT-UHFFFAOYSA-N
XLogP-0.16
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine (CID 43663210) is N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine is Cn1nccc1CNCCN1CCOCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
The InChIKey is TXDRKXXCPBJSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-14-11(2-3-13-14)10-12-4-5-15-6-8-16-9-7-15/h2-3,12H,4-10H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine?
N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine has a molecular weight of 224.31 g/mol, XLogP of -0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine is sourced from PubChem (CID 43663210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).