N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

C17H32Cl2N4O — CID 126967056

IUPACN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCC(C)n1nc(C2CC2)cc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-14(2)21-16(12-17(19-21)15-4-5-15)13-18-6-3-7-20-8-10-22-11-9-20;;/h12,14-15,18H,3-11,13H2,1-2H3;2*1H
InChIKeyWIFSYHLPQLTMDX-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.00
Rot. Bonds8

About N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride

N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (PubChem CID 126967056) has the molecular formula C17H32Cl2N4O and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
PubChem CID126967056
Molecular FormulaC17H32Cl2N4O
Molecular Weight379.38 g/mol
Exact Mass378.20
IUPAC NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
SMILESCC(C)n1nc(C2CC2)cc1CNCCCN1CCOCC1.Cl.Cl
InChIInChI=1S/C17H30N4O.2ClH/c1-14(2)21-16(12-17(19-21)15-4-5-15)13-18-6-3-7-20-8-10-22-11-9-20;;/h12,14-15,18H,3-11,13H2,1-2H3;2*1H
InChIKeyWIFSYHLPQLTMDX-UHFFFAOYSA-N
XLogP3.00
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.00
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

N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine
CID 122166428
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-[(5-methyl-2-propylpyrazol-3-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 122166171
N-[(3-methylimidazol-4-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62997683
4-[2-(3-cyclopropyl-5-ethylpyrazol-1-yl)ethyl]morpholine
CID 71019550
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126964517
3-morpholin-4-yl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine;dihydrochloride
CID 126967380
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-[(2-methylphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6456981

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The IUPAC name of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride (CID 126967056) is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride.
What is the SMILES notation for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The canonical SMILES for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is CC(C)n1nc(C2CC2)cc1CNCCCN1CCOCC1.Cl.Cl.
What is the InChIKey of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
The InChIKey is WIFSYHLPQLTMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O.2ClH/c1-14(2)21-16(12-17(19-21)15-4-5-15)13-18-6-3-7-20-8-10-22-11-9-20;;/h12,14-15,18H,3-11,13H2,1-2H3;2*1H.
What are the key properties of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride?
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride has a molecular weight of 379.38 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride is sourced from PubChem (CID 126967056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).