N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

C12H22Cl2F2N4O — CID 126964517

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.FC(F)n1nccc1CNCCCN1CCOCC1
InChIInChI=1S/C12H20F2N4O.2ClH/c13-12(14)18-11(2-4-16-18)10-15-3-1-5-17-6-8-19-9-7-17;;/h2,4,12,15H,1,3,5-10H2;2*1H
InChIKeyCXSQGTYVDHFKJJ-UHFFFAOYSA-N
MW347.24 g/mol
LogP1.93
Rot. Bonds7

About N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 126964517) has the molecular formula C12H22Cl2F2N4O and a molecular weight of 347.24 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID126964517
Molecular FormulaC12H22Cl2F2N4O
Molecular Weight347.24 g/mol
Exact Mass346.11
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCl.Cl.FC(F)n1nccc1CNCCCN1CCOCC1
InChIInChI=1S/C12H20F2N4O.2ClH/c13-12(14)18-11(2-4-16-18)10-15-3-1-5-17-6-8-19-9-7-17;;/h2,4,12,15H,1,3,5-10H2;2*1H
InChIKeyCXSQGTYVDHFKJJ-UHFFFAOYSA-N
XLogP1.93
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 51.93
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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Related Compounds

3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine;dihydrochloride
CID 126967833
3-morpholin-4-yl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]propan-1-amine
CID 122166014
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126965875
N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 126964926
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126967056
N-[(4-chlorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457087
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
N-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981
N-[(3,4-difluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 28672164
3-morpholin-4-yl-N-(thiophen-3-ylmethyl)propan-1-amine;dihydrochloride
CID 17332415

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 126964517) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is Cl.Cl.FC(F)n1nccc1CNCCCN1CCOCC1.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is CXSQGTYVDHFKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N4O.2ClH/c13-12(14)18-11(2-4-16-18)10-15-3-1-5-17-6-8-19-9-7-17;;/h2,4,12,15H,1,3,5-10H2;2*1H.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 347.24 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 126964517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).