4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide

C22H24N8O2 — CID 19270655

IUPAC4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(Cn3nc(C)cc3C)n2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C22H24N8O2/c1-4-28-13-19(20(27-28)22(32)23-17-8-6-5-7-9-17)24-21(31)18-10-11-29(26-18)14-30-16(3)12-15(2)25-30/h5-13H,4,14H2,1-3H3,(H,23,32)(H,24,31)
InChIKeyDXVGZLABYAVFMU-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.92
Rot. Bonds7

About 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide

4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide (PubChem CID 19270655) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
PubChem CID19270655
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccn(Cn3nc(C)cc3C)n2)c(C(=O)Nc2ccccc2)n1
InChIInChI=1S/C22H24N8O2/c1-4-28-13-19(20(27-28)22(32)23-17-8-6-5-7-9-17)24-21(31)18-10-11-29(26-18)14-30-16(3)12-15(2)25-30/h5-13H,4,14H2,1-3H3,(H,23,32)(H,24,31)
InChIKeyDXVGZLABYAVFMU-UHFFFAOYSA-N
XLogP2.92
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide with MolForge

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Related Compounds

3-[3-[[1-ethyl-3-(phenylcarbamoyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506688
1-ethyl-4-[[2-(3-methylpyrazol-1-yl)acetyl]amino]-N-phenylpyrazole-3-carboxamide
CID 19517011
N-(2,5-dimethylphenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270525
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
4-[(2,4-dimethylbenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404759
4-[(2,4-dichlorobenzoyl)amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 17022084
4-[[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410856
1-ethyl-4-[(4-ethylbenzoyl)amino]-N-phenylpyrazole-3-carboxamide
CID 19404758
N-(4-chloro-2-nitrophenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270474
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
methyl 1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxylate
CID 102533991
N-(3-acetamidophenyl)-1-ethylpyrazole-3-carboxamide
CID 6470772

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The IUPAC name of 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide (CID 19270655) is 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccn(Cn3nc(C)cc3C)n2)c(C(=O)Nc2ccccc2)n1.
What is the InChIKey of 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
The InChIKey is DXVGZLABYAVFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-4-28-13-19(20(27-28)22(32)23-17-8-6-5-7-9-17)24-21(31)18-10-11-29(26-18)14-30-16(3)12-15(2)25-30/h5-13H,4,14H2,1-3H3,(H,23,32)(H,24,31).
What are the key properties of 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide?
4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 19270655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).