5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide

C12H16N6O — CID 86701865

IUPAC5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccc(Nc2n[nH]c(N)c2C(N)=O)cc1
InChIInChI=1S/C12H16N6O/c1-18(2)8-5-3-7(4-6-8)15-12-9(11(14)19)10(13)16-17-12/h3-6H,1-2H3,(H2,14,19)(H4,13,15,16,17)
InChIKeyBBFUUMCEMYWZSD-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.90
Rot. Bonds4

About 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide

5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide (PubChem CID 86701865) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide
PubChem CID86701865
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccc(Nc2n[nH]c(N)c2C(N)=O)cc1
InChIInChI=1S/C12H16N6O/c1-18(2)8-5-3-7(4-6-8)15-12-9(11(14)19)10(13)16-17-12/h3-6H,1-2H3,(H2,14,19)(H4,13,15,16,17)
InChIKeyBBFUUMCEMYWZSD-UHFFFAOYSA-N
XLogP0.90
TPSA113.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide (CID 86701865) is 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide is CN(C)c1ccc(Nc2n[nH]c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide?
The InChIKey is BBFUUMCEMYWZSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-18(2)8-5-3-7(4-6-8)15-12-9(11(14)19)10(13)16-17-12/h3-6H,1-2H3,(H2,14,19)(H4,13,15,16,17).
What are the key properties of 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide?
5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-(dimethylamino)anilino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 86701865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).