N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide

C19H25N5O2 — CID 135892239

IUPACN-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H25N5O2/c1-3-11(4-2)17(25)21-16-10-15(12-8-9-12)23-24(16)19-20-14-7-5-6-13(14)18(26)22-19/h10-12H,3-9H2,1-2H3,(H,21,25)(H,20,22,26)
InChIKeyGTXRKCFEDSRGDI-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.70
Rot. Bonds6

About N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide

N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide (PubChem CID 135892239) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
PubChem CID135892239
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC NameN-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C19H25N5O2/c1-3-11(4-2)17(25)21-16-10-15(12-8-9-12)23-24(16)19-20-14-7-5-6-13(14)18(26)22-19/h10-12H,3-9H2,1-2H3,(H,21,25)(H,20,22,26)
InChIKeyGTXRKCFEDSRGDI-UHFFFAOYSA-N
XLogP2.70
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide?
The IUPAC name of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide (CID 135892239) is N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide?
The canonical SMILES for N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide?
The InChIKey is GTXRKCFEDSRGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-11(4-2)17(25)21-16-10-15(12-8-9-12)23-24(16)19-20-14-7-5-6-13(14)18(26)22-19/h10-12H,3-9H2,1-2H3,(H,21,25)(H,20,22,26).
What are the key properties of N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide?
N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide has a molecular weight of 355.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclopropyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-5-yl]-2-ethylbutanamide is sourced from PubChem (CID 135892239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).