N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

C18H30N4O2 — CID 91789319

IUPACN-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1cnn(CCCNC(=O)C2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C18H30N4O2/c1-16-14-20-22(15-16)9-5-8-19-17(23)18(6-3-2-4-7-18)21-10-12-24-13-11-21/h14-15H,2-13H2,1H3,(H,19,23)
InChIKeyKVGNQDDECFBPFW-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.73
Rot. Bonds6

About N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide

N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (PubChem CID 91789319) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
PubChem CID91789319
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide
SMILESCc1cnn(CCCNC(=O)C2(N3CCOCC3)CCCCC2)c1
InChIInChI=1S/C18H30N4O2/c1-16-14-20-22(15-16)9-5-8-19-17(23)18(6-3-2-4-7-18)21-10-12-24-13-11-21/h14-15H,2-13H2,1H3,(H,19,23)
InChIKeyKVGNQDDECFBPFW-UHFFFAOYSA-N
XLogP1.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The IUPAC name of N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide (CID 91789319) is N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is Cc1cnn(CCCNC(=O)C2(N3CCOCC3)CCCCC2)c1.
What is the InChIKey of N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
The InChIKey is KVGNQDDECFBPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-16-14-20-22(15-16)9-5-8-19-17(23)18(6-3-2-4-7-18)21-10-12-24-13-11-21/h14-15H,2-13H2,1H3,(H,19,23).
What are the key properties of N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide?
N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide has a molecular weight of 334.46 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpyrazol-1-yl)propyl]-1-morpholin-4-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91789319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).