2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine

C17H31N5O — CID 90460665

IUPAC2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine
SMILESCC(CN)NCc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O/c1-13(10-18)19-11-15-12-20-21-17(15)14-2-4-16(5-3-14)22-6-8-23-9-7-22/h12-14,16,19H,2-11,18H2,1H3,(H,20,21)
InChIKeyAWQNKVOVULOQEZ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.20
Rot. Bonds6

About 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine

2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine (PubChem CID 90460665) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine
PubChem CID90460665
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine
SMILESCC(CN)NCc1cn[nH]c1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O/c1-13(10-18)19-11-15-12-20-21-17(15)14-2-4-16(5-3-14)22-6-8-23-9-7-22/h12-14,16,19H,2-11,18H2,1H3,(H,20,21)
InChIKeyAWQNKVOVULOQEZ-UHFFFAOYSA-N
XLogP1.20
TPSA79.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine (CID 90460665) is 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine is CC(CN)NCc1cn[nH]c1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine?
The InChIKey is AWQNKVOVULOQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-13(10-18)19-11-15-12-20-21-17(15)14-2-4-16(5-3-14)22-6-8-23-9-7-22/h12-14,16,19H,2-11,18H2,1H3,(H,20,21).
What are the key properties of 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine?
2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine has a molecular weight of 321.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine is sourced from PubChem (CID 90460665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).