2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

C12H15N5O — CID 61092674

IUPAC2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C12H15N5O/c1-6-11(7(2)17-16-6)15-12(18)9-4-3-8(13)5-10(9)14/h3-5H,13-14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWNPAPEZIMGALNR-UHFFFAOYSA-N
MW245.29 g/mol
LogP1.44
Rot. Bonds2

About 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (PubChem CID 61092674) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
PubChem CID61092674
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1ccc(N)cc1N
InChIInChI=1S/C12H15N5O/c1-6-11(7(2)17-16-6)15-12(18)9-4-3-8(13)5-10(9)14/h3-5H,13-14H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyWNPAPEZIMGALNR-UHFFFAOYSA-N
XLogP1.44
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 51.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-fluorobenzamide
CID 43547708
5-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 81316853
3-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzamide
CID 107872220
2-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 62662395
4-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 55033895
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2,3,5-triiodobenzamide
CID 43546752
2-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 43546666
4-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-nitrobenzamide
CID 43546422
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-nitrobenzamide
CID 62681392
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
CID 81090898
2,4-diamino-N-(2,4,6-trichlorophenyl)benzamide
CID 61093960
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119

Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (CID 61092674) is 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1ccc(N)cc1N.
What is the InChIKey of 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is WNPAPEZIMGALNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-6-11(7(2)17-16-6)15-12(18)9-4-3-8(13)5-10(9)14/h3-5H,13-14H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 245.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 61092674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).