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

C17H31N5O — CID 90460886

IUPAC2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine
SMILESCC(CN)NCc1[nH]ncc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O/c1-13(10-18)19-12-17-16(11-20-21-17)14-2-4-15(5-3-14)22-6-8-23-9-7-22/h11,13-15,19H,2-10,12,18H2,1H3,(H,20,21)
InChIKeyWEHQVFCGZYTZKV-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.20
Rot. Bonds6

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

2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine (PubChem CID 90460886) has the molecular formula C17H31N5O and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine
PubChem CID90460886
Molecular FormulaC17H31N5O
Molecular Weight321.47 g/mol
Exact Mass321.25
IUPAC Name2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine
SMILESCC(CN)NCc1[nH]ncc1C1CCC(N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O/c1-13(10-18)19-12-17-16(11-20-21-17)14-2-4-15(5-3-14)22-6-8-23-9-7-22/h11,13-15,19H,2-10,12,18H2,1H3,(H,20,21)
InChIKeyWEHQVFCGZYTZKV-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

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

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Related Compounds

N~1~-({5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl}methyl)-N~1~,N~2~-dimethylethane-1,2-diamine
CID 90462880
2-{4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-cyclopentylpiperazin-2-yl}ethanol
CID 16189791
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16190812
2-{4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-isopropyl-2-piperazinyl}ethanol
CID 16190672
2-[4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-1-(3-methylbut-2-en-1-yl)piperazin-2-yl]ethanol
CID 16190009
2-{1-cyclohexyl-4-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]piperazin-2-yl}ethanol
CID 16191774
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-[1-(2-methoxyethyl)piperidin-4-yl]methanamine
CID 71879887
1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 86808372
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[2-(morpholin-4-ylmethyl)phenyl]methanamine
CID 86808417
2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine;2,2,2-trifluoroacetic acid
CID 90460664
N,N'-dimethyl-N'-[[5-[4-(2,2,2-trifluoroethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 118971417
N'-[(5-cyclohexyl-1H-pyrazol-4-yl)methyl]-N,N'-dimethylethane-1,2-diamine;1,1,1-trifluoro-2-methoxyethane
CID 145047784

Frequently Asked Questions

What is the IUPAC name of 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine (CID 90460886) is 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine is CC(CN)NCc1[nH]ncc1C1CCC(N2CCOCC2)CC1.
What is the InChIKey of 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine?
The InChIKey is WEHQVFCGZYTZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O/c1-13(10-18)19-12-17-16(11-20-21-17)14-2-4-15(5-3-14)22-6-8-23-9-7-22/h11,13-15,19H,2-10,12,18H2,1H3,(H,20,21).
What are the key properties of 2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine?
2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-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-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine is sourced from PubChem (CID 90460886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).