2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide

C21H22ClN5O — CID 175642742

IUPAC2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCC(n2cc(-c3ccncn3)cn2)CC1
InChIInChI=1S/C21H22ClN5O/c22-17-3-1-15(2-4-17)11-21(28)26-18-5-7-19(8-6-18)27-13-16(12-25-27)20-9-10-23-14-24-20/h1-4,9-10,12-14,18-19H,5-8,11H2,(H,26,28)
InChIKeyXMWYURANLSJNFX-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.84
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide

2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide (PubChem CID 175642742) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
PubChem CID175642742
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)NC1CCC(n2cc(-c3ccncn3)cn2)CC1
InChIInChI=1S/C21H22ClN5O/c22-17-3-1-15(2-4-17)11-21(28)26-18-5-7-19(8-6-18)27-13-16(12-25-27)20-9-10-23-14-24-20/h1-4,9-10,12-14,18-19H,5-8,11H2,(H,26,28)
InChIKeyXMWYURANLSJNFX-UHFFFAOYSA-N
XLogP3.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide (CID 175642742) is 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide is O=C(Cc1ccc(Cl)cc1)NC1CCC(n2cc(-c3ccncn3)cn2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide?
The InChIKey is XMWYURANLSJNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c22-17-3-1-15(2-4-17)11-21(28)26-18-5-7-19(8-6-18)27-13-16(12-25-27)20-9-10-23-14-24-20/h1-4,9-10,12-14,18-19H,5-8,11H2,(H,26,28).
What are the key properties of 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide?
2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide has a molecular weight of 395.89 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[4-(4-pyrimidin-4-ylpyrazol-1-yl)cyclohexyl]acetamide is sourced from PubChem (CID 175642742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).