N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide

C15H19N5O3 — CID 72867378

IUPACN,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H19N5O3/c1-18(8-11-9-5-4-6-10(9)16-17-11)14(22)12-7-13(21)20(3)15(23)19(12)2/h7H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyIMTIFQXSVOTNFV-UHFFFAOYSA-N
MW317.35 g/mol
LogP-0.43
Rot. Bonds3

About N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide

N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 72867378) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide
PubChem CID72867378
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC NameN,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide
SMILESCN(Cc1n[nH]c2c1CCC2)C(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C15H19N5O3/c1-18(8-11-9-5-4-6-10(9)16-17-11)14(22)12-7-13(21)20(3)15(23)19(12)2/h7H,4-6,8H2,1-3H3,(H,16,17)
InChIKeyIMTIFQXSVOTNFV-UHFFFAOYSA-N
XLogP-0.43
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide (CID 72867378) is N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide is CN(Cc1n[nH]c2c1CCC2)C(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is IMTIFQXSVOTNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-18(8-11-9-5-4-6-10(9)16-17-11)14(22)12-7-13(21)20(3)15(23)19(12)2/h7H,4-6,8H2,1-3H3,(H,16,17).
What are the key properties of N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide?
N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-trimethyl-2,6-dioxo-N-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 72867378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).