N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C10H13N5O2 — CID 110485751

IUPACN-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCN)c2n1
InChIInChI=1S/C10H13N5O2/c1-6-4-8(16)15-9(14-6)7(5-13-15)10(17)12-3-2-11/h4-5,13H,2-3,11H2,1H3,(H,12,17)
InChIKeyPTZNIVPAARAHHY-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.98
Rot. Bonds3

About N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 110485751) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID110485751
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC NameN-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCCN)c2n1
InChIInChI=1S/C10H13N5O2/c1-6-4-8(16)15-9(14-6)7(5-13-15)10(17)12-3-2-11/h4-5,13H,2-3,11H2,1H3,(H,12,17)
InChIKeyPTZNIVPAARAHHY-UHFFFAOYSA-N
XLogP-0.98
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethoxypropyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4134667
1,5,8,12-Tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-2,6-dione
CID 57134829
3-[3-(fluoromethyl)azetidine-1-carbonyl]-N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175831006
7-Hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 110485760
3-[3-(fluoromethyl)pyrrolidine-1-carbonyl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 167746403
N-cyclohexyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16734509
5,6-dimethyl-7-oxo-N-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 20789834
N,2,6-trimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 23592542
N-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 58099986
2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carbohydrazide
CID 58763167
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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 110485751) is N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(=O)n2[nH]cc(C(=O)NCCN)c2n1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PTZNIVPAARAHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c1-6-4-8(16)15-9(14-6)7(5-13-15)10(17)12-3-2-11/h4-5,13H,2-3,11H2,1H3,(H,12,17).
What are the key properties of N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 235.25 g/mol, XLogP of -0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110485751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).