1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide

C13H16N4O — CID 64780746

IUPAC1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCc1ccc(-n2ccc(C(=O)N(C)C)n2)c(N)c1
InChIInChI=1S/C13H16N4O/c1-9-4-5-12(10(14)8-9)17-7-6-11(15-17)13(18)16(2)3/h4-8H,14H2,1-3H3
InChIKeyWPBQRCQAJPQSNC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.46
Rot. Bonds2

About 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide

1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64780746) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64780746
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCc1ccc(-n2ccc(C(=O)N(C)C)n2)c(N)c1
InChIInChI=1S/C13H16N4O/c1-9-4-5-12(10(14)8-9)17-7-6-11(15-17)13(18)16(2)3/h4-8H,14H2,1-3H3
InChIKeyWPBQRCQAJPQSNC-UHFFFAOYSA-N
XLogP1.46
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782079
1-(2-amino-4-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64782075
1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 82992414
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 65342316
1-(4-amino-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780550
1-(5-aminoquinolin-6-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781891
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79827052
1-(2-aminophenyl)-N-ethyl-N-methylpyrazole-3-carboxamide
CID 43475556
1-[4-(ethylaminomethyl)-2-methylphenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64782126
1-(8-aminoquinolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 83066352
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781320
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide (CID 64780746) is 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide is Cc1ccc(-n2ccc(C(=O)N(C)C)n2)c(N)c1.
What is the InChIKey of 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is WPBQRCQAJPQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9-4-5-12(10(14)8-9)17-7-6-11(15-17)13(18)16(2)3/h4-8H,14H2,1-3H3.
What are the key properties of 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64780746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).