N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide

C18H20N4O2 — CID 111538646

IUPACN-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESN#Cc1ccc(-n2nccc2NC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C18H20N4O2/c19-13-14-4-6-15(7-5-14)22-16(8-11-20-22)21-17(23)12-18(24)9-2-1-3-10-18/h4-8,11,24H,1-3,9-10,12H2,(H,21,23)
InChIKeyTWESJIRSJQHZHB-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.77
Rot. Bonds4

About N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide

N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111538646) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111538646
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide
SMILESN#Cc1ccc(-n2nccc2NC(=O)CC2(O)CCCCC2)cc1
InChIInChI=1S/C18H20N4O2/c19-13-14-4-6-15(7-5-14)22-16(8-11-20-22)21-17(23)12-18(24)9-2-1-3-10-18/h4-8,11,24H,1-3,9-10,12H2,(H,21,23)
InChIKeyTWESJIRSJQHZHB-UHFFFAOYSA-N
XLogP2.77
TPSA90.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide (CID 111538646) is N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide is N#Cc1ccc(-n2nccc2NC(=O)CC2(O)CCCCC2)cc1.
What is the InChIKey of N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is TWESJIRSJQHZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-13-14-4-6-15(7-5-14)22-16(8-11-20-22)21-17(23)12-18(24)9-2-1-3-10-18/h4-8,11,24H,1-3,9-10,12H2,(H,21,23).
What are the key properties of N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide?
N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyanophenyl)pyrazol-3-yl]-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111538646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).