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

C16H21N5O2 — CID 135551790

IUPAC2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C16H21N5O2/c1-9-8-12(18-14(23)16(2,3)4)21(20-9)15-17-11-7-5-6-10(11)13(22)19-15/h8H,5-7H2,1-4H3,(H,18,23)(H,17,19,22)
InChIKeyKDOZYBUQWOIECR-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.74
Rot. Bonds2

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

2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide (PubChem CID 135551790) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
PubChem CID135551790
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide
SMILESCc1cc(NC(=O)C(C)(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1
InChIInChI=1S/C16H21N5O2/c1-9-8-12(18-14(23)16(2,3)4)21(20-9)15-17-11-7-5-6-10(11)13(22)19-15/h8H,5-7H2,1-4H3,(H,18,23)(H,17,19,22)
InChIKeyKDOZYBUQWOIECR-UHFFFAOYSA-N
XLogP1.74
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide (CID 135551790) is 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide is Cc1cc(NC(=O)C(C)(C)C)n(-c2nc3c(c(=O)[nH]2)CCC3)n1.
What is the InChIKey of 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
The InChIKey is KDOZYBUQWOIECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-9-8-12(18-14(23)16(2,3)4)21(20-9)15-17-11-7-5-6-10(11)13(22)19-15/h8H,5-7H2,1-4H3,(H,18,23)(H,17,19,22).
What are the key properties of 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide?
2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide has a molecular weight of 315.38 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 135551790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).