N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

C18H30N4O2 — CID 45226896

IUPACN-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(N2CCOCC2)CCCCC1)c1cnn(C)c1
InChIInChI=1S/C18H30N4O2/c1-3-16(15-13-19-21(2)14-15)20-17(23)18(7-5-4-6-8-18)22-9-11-24-12-10-22/h13-14,16H,3-12H2,1-2H3,(H,20,23)
InChIKeyXUGUJUDAIRJTSE-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.02
Rot. Bonds5

About N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 45226896) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID45226896
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCCC(NC(=O)C1(N2CCOCC2)CCCCC1)c1cnn(C)c1
InChIInChI=1S/C18H30N4O2/c1-3-16(15-13-19-21(2)14-15)20-17(23)18(7-5-4-6-8-18)22-9-11-24-12-10-22/h13-14,16H,3-12H2,1-2H3,(H,20,23)
InChIKeyXUGUJUDAIRJTSE-UHFFFAOYSA-N
XLogP2.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 45226896) is N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is CCC(NC(=O)C1(N2CCOCC2)CCCCC1)c1cnn(C)c1.
What is the InChIKey of N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is XUGUJUDAIRJTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-3-16(15-13-19-21(2)14-15)20-17(23)18(7-5-4-6-8-18)22-9-11-24-12-10-22/h13-14,16H,3-12H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylpyrazol-4-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 45226896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).