methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

C10H10N4O3 — CID 70317954

IUPACmethyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESC=C(O)c1cc(C(=O)OC)n2ncc(N)c2n1
InChIInChI=1S/C10H10N4O3/c1-5(15)7-3-8(10(16)17-2)14-9(13-7)6(11)4-12-14/h3-4,15H,1,11H2,2H3
InChIKeyDXCMCBDYIDMFSY-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.63
Rot. Bonds2

About methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate

methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (PubChem CID 70317954) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
PubChem CID70317954
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Namemethyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
SMILESC=C(O)c1cc(C(=O)OC)n2ncc(N)c2n1
InChIInChI=1S/C10H10N4O3/c1-5(15)7-3-8(10(16)17-2)14-9(13-7)6(11)4-12-14/h3-4,15H,1,11H2,2H3
InChIKeyDXCMCBDYIDMFSY-UHFFFAOYSA-N
XLogP0.63
TPSA102.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-amino-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 84719834
3-amino-7-methoxycarbonylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;5-[(chloroamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 159125084
3-fluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59462406
2-amino-7-methoxycarbonyl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 59461318
methyl 2-(1-hydroxyethenyl)-7-methylpyrrolo[1,2-a]pyrimidine-4-carboxylate
CID 70321625
methyl 3-bromo-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 19916288
methyl 7-aminoimidazo[1,2-b][1,2,4]triazine-3-carboxylate
CID 44630672
3-amino-5-[(3-methyl-2-oxo-1,3-benzoxazol-5-yl)methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 90973986
8-fluoro-2-methoxycarbonylimidazo[1,5-a]pyrimidine-4-carboxylic acid
CID 91517574
methyl 3-fluoro-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate;methyl 5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 160635776
methyl 3-chloro-5-cyclopropylpyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 25247710
methyl 3-acetyl-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59461253

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The IUPAC name of methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate (CID 70317954) is methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The canonical SMILES for methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is C=C(O)c1cc(C(=O)OC)n2ncc(N)c2n1.
What is the InChIKey of methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
The InChIKey is DXCMCBDYIDMFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-5(15)7-3-8(10(16)17-2)14-9(13-7)6(11)4-12-14/h3-4,15H,1,11H2,2H3.
What are the key properties of methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate?
methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate has a molecular weight of 234.22 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(1-hydroxyethenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate is sourced from PubChem (CID 70317954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).