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

C16H21N5O2 — CID 135551792

IUPAC3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
SMILESCc1cc(NC(=O)CC(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C16H21N5O2/c1-9(2)7-14(22)18-13-8-10(3)20-21(13)16-17-12-6-4-5-11(12)15(23)19-16/h8-9H,4-7H2,1-3H3,(H,18,22)(H,17,19,23)
InChIKeyPOMTXHPMJLHFFC-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds4

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

3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide (PubChem CID 135551792) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
PubChem CID135551792
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide
SMILESCc1cc(NC(=O)CC(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C16H21N5O2/c1-9(2)7-14(22)18-13-8-10(3)20-21(13)16-17-12-6-4-5-11(12)15(23)19-16/h8-9H,4-7H2,1-3H3,(H,18,22)(H,17,19,23)
InChIKeyPOMTXHPMJLHFFC-UHFFFAOYSA-N
XLogP1.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide?
The IUPAC name of 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide (CID 135551792) is 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide?
The canonical SMILES for 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide is Cc1cc(NC(=O)CC(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide?
The InChIKey is POMTXHPMJLHFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9(2)7-14(22)18-13-8-10(3)20-21(13)16-17-12-6-4-5-11(12)15(23)19-16/h8-9H,4-7H2,1-3H3,(H,18,22)(H,17,19,23).
What are the key properties of 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide?
3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide has a molecular weight of 315.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 135551792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).