2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide

C13H16N4O — CID 104616434

IUPAC2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1N
InChIInChI=1S/C13H16N4O/c1-7-5-4-6-10(11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyBVNWKKHALKYXRU-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.17
Rot. Bonds2

About 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide

2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide (PubChem CID 104616434) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
PubChem CID104616434
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1N
InChIInChI=1S/C13H16N4O/c1-7-5-4-6-10(11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyBVNWKKHALKYXRU-UHFFFAOYSA-N
XLogP2.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433364
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 113231423
3-amino-2-chloro-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433365
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-fluoro-3-methylbenzamide
CID 103296808
2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
5-amino-2-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113433346
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 104616482
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(propylamino)benzamide
CID 104619421
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
5-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methoxybenzamide
CID 104616428
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
The IUPAC name of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide (CID 104616434) is 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide.
What is the SMILES notation for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
The canonical SMILES for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2n[nH]c(C)c2C)c1N.
What is the InChIKey of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
The InChIKey is BVNWKKHALKYXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-5-4-6-10(11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide?
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide is sourced from PubChem (CID 104616434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).