4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide

C13H17N5O — CID 115375767

IUPAC4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C13H17N5O/c1-17(2)10-6-4-5-9(7-10)16-13(19)12-11(14)8-15-18(12)3/h4-8H,14H2,1-3H3,(H,16,19)
InChIKeyWWXHFSGBMNDESB-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds3

About 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide

4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide (PubChem CID 115375767) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
PubChem CID115375767
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide
SMILESCN(C)c1cccc(NC(=O)c2c(N)cnn2C)c1
InChIInChI=1S/C13H17N5O/c1-17(2)10-6-4-5-9(7-10)16-13(19)12-11(14)8-15-18(12)3/h4-8H,14H2,1-3H3,(H,16,19)
InChIKeyWWXHFSGBMNDESB-UHFFFAOYSA-N
XLogP1.32
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[3-(methoxymethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65359651
4-amino-1-methyl-N-pyridin-3-ylpyrazole-5-carboxamide
CID 65355553
4-amino-N-(4-carbamoylphenyl)-1-methylpyrazole-5-carboxamide
CID 65355760
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CID 110461785
4-amino-N-[4-(dimethylcarbamoyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 65355685
N-(4-acetamido-3-chlorophenyl)-4-amino-1-methylpyrazole-5-carboxamide
CID 65355536
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
4-amino-N-[4-(methanesulfonamido)phenyl]-1-methylpyrazole-5-carboxamide
CID 65356183
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
4-bromo-1-methyl-N-(3-methylphenyl)pyrazole-5-carboxamide
CID 19576393
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide (CID 115375767) is 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide is CN(C)c1cccc(NC(=O)c2c(N)cnn2C)c1.
What is the InChIKey of 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is WWXHFSGBMNDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-17(2)10-6-4-5-9(7-10)16-13(19)12-11(14)8-15-18(12)3/h4-8H,14H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide?
4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylamino)phenyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 115375767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).