N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H18N4O3 — CID 4134667

IUPACN-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C13H18N4O3/c1-3-20-6-4-5-14-13(19)10-8-15-17-11(18)7-9(2)16-12(10)17/h7-8,15H,3-6H2,1-2H3,(H,14,19)
InChIKeyZMTXHRSIOAVPOJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.49
Rot. Bonds6

About N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4134667) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4134667
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC NameN-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCOCCCNC(=O)c1c[nH]n2c(=O)cc(C)nc12
InChIInChI=1S/C13H18N4O3/c1-3-20-6-4-5-14-13(19)10-8-15-17-11(18)7-9(2)16-12(10)17/h7-8,15H,3-6H2,1-2H3,(H,14,19)
InChIKeyZMTXHRSIOAVPOJ-UHFFFAOYSA-N
XLogP0.49
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 7-hydroxy-5-methylpyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 2816397
7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485760
6-ethyl-N-(3-methoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4372031
N-cyclohexyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734509
N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 121371083
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 121371102
2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 129034348
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 129034354
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide
CID 129034355
N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 134314264
N-cycloheptyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926768
5-methyl-3-(4-propylpiperazine-1-carbonyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 51363400

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4134667) is N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCOCCCNC(=O)c1c[nH]n2c(=O)cc(C)nc12.
What is the InChIKey of N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ZMTXHRSIOAVPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-20-6-4-5-14-13(19)10-8-15-17-11(18)7-9(2)16-12(10)17/h7-8,15H,3-6H2,1-2H3,(H,14,19).
What are the key properties of N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4134667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).