1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

C16H28N4O — CID 86808372

IUPAC1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCc1[nH]ncc1CNCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H28N4O/c1-14-15(12-18-19-14)11-17-13-16(5-3-2-4-6-16)20-7-9-21-10-8-20/h12,17H,2-11,13H2,1H3,(H,18,19)
InChIKeyLHZRTJAXYZQWOE-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.84
Rot. Bonds5

About 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine

1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (PubChem CID 86808372) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
PubChem CID86808372
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
SMILESCc1[nH]ncc1CNCC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C16H28N4O/c1-14-15(12-18-19-14)11-17-13-16(5-3-2-4-6-16)20-7-9-21-10-8-20/h12,17H,2-11,13H2,1H3,(H,18,19)
InChIKeyLHZRTJAXYZQWOE-UHFFFAOYSA-N
XLogP1.84
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(1H-pyrazol-5-ylmethyl)urea
CID 45829886
1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-3-piperidin-1-ylpropan-2-ol
CID 86771895
1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine
CID 86808371
4-{1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}morpholine
CID 45230866
N'-methyl-N'-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86301537
N'-methyl-N'-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]ethane-1,2-diamine
CID 86301538
2-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propane-1,2-diamine
CID 90460665
2-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propane-1,2-diamine
CID 90460886
N-methyl-N-[[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 117660972
N-methyl-N-[[4-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-5-yl]methyl]propan-1-amine
CID 117660981
ethane;N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
CID 144722023
N-methyl-1-[5-(4-morpholin-4-ylcyclohexyl)-1H-pyrazol-4-yl]methanamine
CID 144722024

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine (CID 86808372) is 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is Cc1[nH]ncc1CNCC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
The InChIKey is LHZRTJAXYZQWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-14-15(12-18-19-14)11-17-13-16(5-3-2-4-6-16)20-7-9-21-10-8-20/h12,17H,2-11,13H2,1H3,(H,18,19).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine?
1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine has a molecular weight of 292.43 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]methanamine is sourced from PubChem (CID 86808372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).