[(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate

C15H13N5O3 — CID 51525371

IUPAC[(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(/N)c2cnn3cccnc23)cc1
InChIInChI=1S/C15H13N5O3/c1-22-11-5-3-10(4-6-11)15(21)23-19-13(16)12-9-18-20-8-2-7-17-14(12)20/h2-9H,1H3,(H2,16,19)
InChIKeyZQBBMGCVMBXQSN-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.22
Rot. Bonds4

About [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate

[(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate (PubChem CID 51525371) has the molecular formula C15H13N5O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate.

Molecular Properties

Compound Name[(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate
PubChem CID51525371
Molecular FormulaC15H13N5O3
Molecular Weight311.30 g/mol
Exact Mass311.10
IUPAC Name[(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate
SMILESCOc1ccc(C(=O)O/N=C(/N)c2cnn3cccnc23)cc1
InChIInChI=1S/C15H13N5O3/c1-22-11-5-3-10(4-6-11)15(21)23-19-13(16)12-9-18-20-8-2-7-17-14(12)20/h2-9H,1H3,(H2,16,19)
InChIKeyZQBBMGCVMBXQSN-UHFFFAOYSA-N
XLogP1.22
TPSA104.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
3-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine
CID 71150900
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 4-iodobenzoate
CID 5349115
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 4-methoxybenzoate
CID 135432059
[(E)-[amino(methoxy)methylidene]amino] 4-methoxybenzoate
CID 10353566
dimethyl 5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)benzene-1,3-dicarboxylate
CID 5112652
N-(4-acetylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1256529
[[amino-(4-methoxyphenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate
CID 2800140
N-[2-[4-[(3,4-dimethoxybenzoyl)amino]phenyl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 91425689
3-methoxy-4-(pyrazolo[1,5-a]pyrimidin-3-ylmethylamino)benzamide
CID 130350382
N-(2-methylpropanoyl)pyrazolo[1,5-a]pyrimidine-3-carbohydrazide
CID 121418872

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate?
The IUPAC name of [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate (CID 51525371) is [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate.
What is the SMILES notation for [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate?
The canonical SMILES for [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate is COc1ccc(C(=O)O/N=C(/N)c2cnn3cccnc23)cc1.
What is the InChIKey of [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate?
The InChIKey is ZQBBMGCVMBXQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O3/c1-22-11-5-3-10(4-6-11)15(21)23-19-13(16)12-9-18-20-8-2-7-17-14(12)20/h2-9H,1H3,(H2,16,19).
What are the key properties of [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate?
[(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate has a molecular weight of 311.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino(pyrazolo[1,5-a]pyrimidin-3-yl)methylidene]amino] 4-methoxybenzoate is sourced from PubChem (CID 51525371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).