3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide

C18H24N8O2 — CID 29097386

IUPAC3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCCn1nc(NC(=O)c2cc(C(=O)Nc3cc(C)n(CC)n3)n(C)n2)cc1C
InChIInChI=1S/C18H24N8O2/c1-6-25-11(3)8-15(22-25)19-17(27)13-10-14(24(5)21-13)18(28)20-16-9-12(4)26(7-2)23-16/h8-10H,6-7H2,1-5H3,(H,19,22,27)(H,20,23,28)
InChIKeyBMHHVTUTSHFZQQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.97
Rot. Bonds6

About 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 29097386) has the molecular formula C18H24N8O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID29097386
Molecular FormulaC18H24N8O2
Molecular Weight384.44 g/mol
Exact Mass384.20
IUPAC Name3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCCn1nc(NC(=O)c2cc(C(=O)Nc3cc(C)n(CC)n3)n(C)n2)cc1C
InChIInChI=1S/C18H24N8O2/c1-6-25-11(3)8-15(22-25)19-17(27)13-10-14(24(5)21-13)18(28)20-16-9-12(4)26(7-2)23-16/h8-10H,6-7H2,1-5H3,(H,19,22,27)(H,20,23,28)
InChIKeyBMHHVTUTSHFZQQ-UHFFFAOYSA-N
XLogP1.97
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-N,5-N-bis(1-ethyl-3-methylpyrazol-4-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097370
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357
5-ethyl-N-(1-ethyl-5-methylpyrazol-3-yl)thiophene-3-carboxamide
CID 19617153
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
CID 679026
N-(1-ethyl-5-methylpyrazol-3-yl)-3-methoxy-1-phenylpyrazole-5-carboxamide
CID 100830430
N-(1-ethyl-5-methylpyrazol-3-yl)-5-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
CID 44824810
2-[(dimethylamino)methyl]-N-(5-methyl-1-propylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 162638334
1-ethyl-N-methoxy-5-methylpyrazole-3-carboxamide
CID 90975733
3-ethyl-1-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 66122312
3-N,5-N-bis(5-chloro-2-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097288
methyl 4-[(1-ethyl-5-methylpyrazole-3-carbonyl)amino]benzoate
CID 110681771

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide (CID 29097386) is 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide is CCn1nc(NC(=O)c2cc(C(=O)Nc3cc(C)n(CC)n3)n(C)n2)cc1C.
What is the InChIKey of 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is BMHHVTUTSHFZQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8O2/c1-6-25-11(3)8-15(22-25)19-17(27)13-10-14(24(5)21-13)18(28)20-16-9-12(4)26(7-2)23-16/h8-10H,6-7H2,1-5H3,(H,19,22,27)(H,20,23,28).
What are the key properties of 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 384.44 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(1-ethyl-5-methylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 29097386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).