1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

C15H15F3N8O3 — CID 19265061

IUPAC1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)Nc3c(C(F)(F)F)n[nH]c3C)n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H15F3N8O3/c1-7-11(13(21-20-7)15(16,17)18)19-14(27)10-4-5-24(23-10)6-25-9(3)12(26(28)29)8(2)22-25/h4-5H,6H2,1-3H3,(H,19,27)(H,20,21)
InChIKeySSRDEAIMRVMSFE-UHFFFAOYSA-N
MW412.33 g/mol
LogP2.41
Rot. Bonds5

About 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide

1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (PubChem CID 19265061) has the molecular formula C15H15F3N8O3 and a molecular weight of 412.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
PubChem CID19265061
Molecular FormulaC15H15F3N8O3
Molecular Weight412.33 g/mol
Exact Mass412.12
IUPAC Name1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide
SMILESCc1nn(Cn2ccc(C(=O)Nc3c(C(F)(F)F)n[nH]c3C)n2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H15F3N8O3/c1-7-11(13(21-20-7)15(16,17)18)19-14(27)10-4-5-24(23-10)6-25-9(3)12(26(28)29)8(2)22-25/h4-5H,6H2,1-3H3,(H,19,27)(H,20,21)
InChIKeySSRDEAIMRVMSFE-UHFFFAOYSA-N
XLogP2.41
TPSA136.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 19515884
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(4-ethylphenyl)pyrazole-3-carboxamide
CID 19264817
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 102534000
N-butyl-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19265041
4-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-N-(1,5-dimethylpyrazol-4-yl)-1-ethylpyrazole-5-carboxamide
CID 19265048
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 19264941
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265053
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19264997
ethyl 5-acetyl-2-[[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-4-methylthiophene-3-carboxylate
CID 19264824
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19265051
2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]acetamide
CID 19529536
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-[1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazol-3-yl]methanone
CID 19472419

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide (CID 19265061) is 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is Cc1nn(Cn2ccc(C(=O)Nc3c(C(F)(F)F)n[nH]c3C)n2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
The InChIKey is SSRDEAIMRVMSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N8O3/c1-7-11(13(21-20-7)15(16,17)18)19-14(27)10-4-5-24(23-10)6-25-9(3)12(26(28)29)8(2)22-25/h4-5H,6H2,1-3H3,(H,19,27)(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide?
1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide has a molecular weight of 412.33 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19265061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).