5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide

C12H15N5O — CID 106760594

IUPAC5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H15N5O/c1-17(2)10-6-4-3-5-9(10)15-12(18)8-7-14-16-11(8)13/h3-7H,1-2H3,(H,15,18)(H3,13,14,16)
InChIKeyRSPISFWOJDCVMG-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.31
Rot. Bonds3

About 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide

5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 106760594) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID106760594
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1cn[nH]c1N
InChIInChI=1S/C12H15N5O/c1-17(2)10-6-4-3-5-9(10)15-12(18)8-7-14-16-11(8)13/h3-7H,1-2H3,(H,15,18)(H3,13,14,16)
InChIKeyRSPISFWOJDCVMG-UHFFFAOYSA-N
XLogP1.31
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-sulfonamide
CID 106759379
5-amino-N-(2-hydroxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 110484171
5-amino-N-(4-iodophenyl)-1H-pyrazole-4-carboxamide
CID 43159637
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 82766729
N-[2-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 61259189
5-amino-N-(2,4-dibromophenyl)-1H-pyrazole-4-carboxamide
CID 61475532
N-[2-(dimethylamino)phenyl]-2-hydrazinyl-5-methylbenzamide
CID 106760779
2,5-dichloro-N-[2-(dimethylamino)phenyl]benzamide
CID 30886701
5-amino-N-(4-tert-butylphenyl)-1H-pyrazole-4-carboxamide
CID 43337152
4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 106759320
N-[2-(dimethylamino)phenyl]-2-(methylamino)pyridine-3-carboxamide
CID 106760745
N-[2-(dimethylamino)phenyl]-5-methyl-1H-indazole-3-carboxamide
CID 78866275

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide (CID 106760594) is 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide is CN(C)c1ccccc1NC(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is RSPISFWOJDCVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-17(2)10-6-4-3-5-9(10)15-12(18)8-7-14-16-11(8)13/h3-7H,1-2H3,(H,15,18)(H3,13,14,16).
What are the key properties of 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide?
5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 106760594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).