2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide

C19H25N5O2 — CID 135551800

IUPAC2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2CCCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C19H25N5O2/c1-12-10-16(21-17(25)11-13-6-3-2-4-7-13)24(23-12)19-20-15-9-5-8-14(15)18(26)22-19/h10,13H,2-9,11H2,1H3,(H,21,25)(H,20,22,26)
InChIKeyJQAPWEXPNOVVJX-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.66
Rot. Bonds4

About 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide

2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (PubChem CID 135551800) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
PubChem CID135551800
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CC2CCCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C19H25N5O2/c1-12-10-16(21-17(25)11-13-6-3-2-4-7-13)24(23-12)19-20-15-9-5-8-14(15)18(26)22-19/h10,13H,2-9,11H2,1H3,(H,21,25)(H,20,22,26)
InChIKeyJQAPWEXPNOVVJX-UHFFFAOYSA-N
XLogP2.66
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide (CID 135551800) is 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is Cc1cc(NC(=O)CC2CCCCC2)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is JQAPWEXPNOVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-12-10-16(21-17(25)11-13-6-3-2-4-7-13)24(23-12)19-20-15-9-5-8-14(15)18(26)22-19/h10,13H,2-9,11H2,1H3,(H,21,25)(H,20,22,26).
What are the key properties of 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide?
2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 135551800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).