N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide

C15H20N4O2 — CID 91638738

IUPACN-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC1CC1
InChIInChI=1S/C15H20N4O2/c1-9-12(5-6-14(20)16-8-11-3-4-11)10(2)19-13(17-9)7-15(21)18-19/h7,11H,3-6,8H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyFOTGVOUTNNYSLF-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.10
Rot. Bonds5

About N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 91638738) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
PubChem CID91638738
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide
SMILESCc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC1CC1
InChIInChI=1S/C15H20N4O2/c1-9-12(5-6-14(20)16-8-11-3-4-11)10(2)19-13(17-9)7-15(21)18-19/h7,11H,3-6,8H2,1-2H3,(H,16,20)(H,18,21)
InChIKeyFOTGVOUTNNYSLF-UHFFFAOYSA-N
XLogP1.10
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The IUPAC name of N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 91638738) is N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide.
What is the SMILES notation for N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The canonical SMILES for N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
The InChIKey is FOTGVOUTNNYSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-9-12(5-6-14(20)16-8-11-3-4-11)10(2)19-13(17-9)7-15(21)18-19/h7,11H,3-6,8H2,1-2H3,(H,16,20)(H,18,21).
What are the key properties of N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide?
N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-3-(5,7-dimethyl-2-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 91638738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).