N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine

C12H22N4O — CID 43663290

IUPACN-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCn1nccc1CNCCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-15-12(3-5-14-15)11-13-4-2-6-16-7-9-17-10-8-16/h3,5,13H,2,4,6-11H2,1H3
InChIKeyKSPWCVHSIGCPBK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.23
Rot. Bonds6

About N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine

N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine (PubChem CID 43663290) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
PubChem CID43663290
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
SMILESCn1nccc1CNCCCN1CCOCC1
InChIInChI=1S/C12H22N4O/c1-15-12(3-5-14-15)11-13-4-2-6-16-7-9-17-10-8-16/h3,5,13H,2,4,6-11H2,1H3
InChIKeyKSPWCVHSIGCPBK-UHFFFAOYSA-N
XLogP0.23
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.23
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]-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine (CID 43663290) is N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine is Cn1nccc1CNCCCN1CCOCC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
The InChIKey is KSPWCVHSIGCPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-12(3-5-14-15)11-13-4-2-6-16-7-9-17-10-8-16/h3,5,13H,2,4,6-11H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine?
N-[(2-methylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine has a molecular weight of 238.33 g/mol, XLogP of 0.23, 6 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]-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 43663290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).