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

C15H30Cl2N4O — CID 126965875

IUPACN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCC(C)Cn1nccc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C15H28N4O.2ClH/c1-14(2)13-19-15(4-6-17-19)12-16-5-3-7-18-8-10-20-11-9-18;;/h4,6,14,16H,3,5,7-13H2,1-2H3;2*1H
InChIKeyBHYSZSBJTHNWPN-UHFFFAOYSA-N
MW353.34 g/mol
LogP2.19
Rot. Bonds8

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

N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 126965875) has the molecular formula C15H30Cl2N4O and a molecular weight of 353.34 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID126965875
Molecular FormulaC15H30Cl2N4O
Molecular Weight353.34 g/mol
Exact Mass352.18
IUPAC NameN-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCC(C)Cn1nccc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C15H28N4O.2ClH/c1-14(2)13-19-15(4-6-17-19)12-16-5-3-7-18-8-10-20-11-9-18;;/h4,6,14,16H,3,5,7-13H2,1-2H3;2*1H
InChIKeyBHYSZSBJTHNWPN-UHFFFAOYSA-N
XLogP2.19
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 52.19
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-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126964517
N',N'-dimethyl-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 126965686
N-[(2-ethylpyrazol-3-yl)methyl]-3-piperidin-1-ylpropan-1-amine
CID 115761556
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 122166141
N-[(2-butan-2-ylpyrazol-3-yl)methyl]-2-morpholin-4-ylethanamine;dihydrochloride
CID 126964926
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126967056
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 126965875) is N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is CC(C)Cn1nccc1CNCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is BHYSZSBJTHNWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O.2ClH/c1-14(2)13-19-15(4-6-17-19)12-16-5-3-7-18-8-10-20-11-9-18;;/h4,6,14,16H,3,5,7-13H2,1-2H3;2*1H.
What are the key properties of N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 353.34 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 126965875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).