1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide

C10H11N5O3S — CID 844718

IUPAC1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O3S/c1-5-4-19-10(11-5)12-9(16)7-8(15(17)18)6(2)14(3)13-7/h4H,1-3H3,(H,11,12,16)
InChIKeyBYARPFFMMXJBGV-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.65
Rot. Bonds3

About 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide

1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide (PubChem CID 844718) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
PubChem CID844718
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide
SMILESCc1csc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H11N5O3S/c1-5-4-19-10(11-5)12-9(16)7-8(15(17)18)6(2)14(3)13-7/h4H,1-3H3,(H,11,12,16)
InChIKeyBYARPFFMMXJBGV-UHFFFAOYSA-N
XLogP1.65
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-4-nitro-N-(thiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 1220107
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2528589
1-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
CID 844706
1-Methyl-4-nitro-N-(thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 1220591
N-(5-acetyl-4-methylthiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952132
N-(5-acetyl-4-methylthiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952740
1-(difluoromethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 17025310
N,N,4-trimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-1,3-thiazole-5-carboxamide
CID 39853998
4-chloro-1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 844767
N'-(1,3-dimethyl-4-nitropyrazole-5-carbonyl)-2-methyl-1,3-thiazole-4-carbohydrazide
CID 4636955
1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitro-1H-pyrazole-5-carboxamide
CID 5202362
4-chloro-1,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 5204651

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide (CID 844718) is 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide is Cc1csc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])n1.
What is the InChIKey of 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
The InChIKey is BYARPFFMMXJBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-5-4-19-10(11-5)12-9(16)7-8(15(17)18)6(2)14(3)13-7/h4H,1-3H3,(H,11,12,16).
What are the key properties of 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide?
1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide has a molecular weight of 281.30 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 844718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).