N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide

C16H22N4O — CID 71708810

IUPACN-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESCn1cc(NC(=O)CC2(n3cccc3)CCCCC2)cn1
InChIInChI=1S/C16H22N4O/c1-19-13-14(12-17-19)18-15(21)11-16(7-3-2-4-8-16)20-9-5-6-10-20/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeyORHAFTBPFPGVQS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.91
Rot. Bonds4

About N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide

N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide (PubChem CID 71708810) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
PubChem CID71708810
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide
SMILESCn1cc(NC(=O)CC2(n3cccc3)CCCCC2)cn1
InChIInChI=1S/C16H22N4O/c1-19-13-14(12-17-19)18-15(21)11-16(7-3-2-4-8-16)20-9-5-6-10-20/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,21)
InChIKeyORHAFTBPFPGVQS-UHFFFAOYSA-N
XLogP2.91
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide (CID 71708810) is N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide is Cn1cc(NC(=O)CC2(n3cccc3)CCCCC2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
The InChIKey is ORHAFTBPFPGVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-19-13-14(12-17-19)18-15(21)11-16(7-3-2-4-8-16)20-9-5-6-10-20/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide?
N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-2-(1-pyrrol-1-ylcyclohexyl)acetamide is sourced from PubChem (CID 71708810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).