1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide

C14H14N6O — CID 65336223

IUPAC1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncnc3cc(N)ccc23)n1
InChIInChI=1S/C14H14N6O/c1-19(2)14(21)11-5-6-20(18-11)13-10-4-3-9(15)7-12(10)16-8-17-13/h3-8H,15H2,1-2H3
InChIKeyPHQYWYIDOUFZAX-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.10
Rot. Bonds2

About 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide

1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 65336223) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID65336223
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2ncnc3cc(N)ccc23)n1
InChIInChI=1S/C14H14N6O/c1-19(2)14(21)11-5-6-20(18-11)13-10-4-3-9(15)7-12(10)16-8-17-13/h3-8H,15H2,1-2H3
InChIKeyPHQYWYIDOUFZAX-UHFFFAOYSA-N
XLogP1.10
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide (CID 65336223) is 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2ncnc3cc(N)ccc23)n1.
What is the InChIKey of 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is PHQYWYIDOUFZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-19(2)14(21)11-5-6-20(18-11)13-10-4-3-9(15)7-12(10)16-8-17-13/h3-8H,15H2,1-2H3.
What are the key properties of 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide?
1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 65336223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).