N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C15H19N5O2 — CID 56706502

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2n[nH]c3c2CCC3)c(=O)n1
InChIInChI=1S/C15H19N5O2/c1-9-8-10(2)20(15(22)17-9)7-6-16-14(21)13-11-4-3-5-12(11)18-19-13/h8H,3-7H2,1-2H3,(H,16,21)(H,18,19)
InChIKeyHVAAPPGBPQFQQS-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.50
Rot. Bonds4

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 56706502) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID56706502
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCc1cc(C)n(CCNC(=O)c2n[nH]c3c2CCC3)c(=O)n1
InChIInChI=1S/C15H19N5O2/c1-9-8-10(2)20(15(22)17-9)7-6-16-14(21)13-11-4-3-5-12(11)18-19-13/h8H,3-7H2,1-2H3,(H,16,21)(H,18,19)
InChIKeyHVAAPPGBPQFQQS-UHFFFAOYSA-N
XLogP0.50
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 56706502) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is Cc1cc(C)n(CCNC(=O)c2n[nH]c3c2CCC3)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is HVAAPPGBPQFQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-9-8-10(2)20(15(22)17-9)7-6-16-14(21)13-11-4-3-5-12(11)18-19-13/h8H,3-7H2,1-2H3,(H,16,21)(H,18,19).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 56706502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).