3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide

C16H20N8O2 — CID 29097735

IUPAC3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
SMILESCCn1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccn(CC)n2)n1
InChIInChI=1S/C16H20N8O2/c1-4-23-8-6-12(19-23)17-15(25)11-10-22(3)21-14(11)16(26)18-13-7-9-24(5-2)20-13/h6-10H,4-5H2,1-3H3,(H,17,19,25)(H,18,20,26)
InChIKeyFMDDYPCXUWHMMA-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.36
Rot. Bonds6

About 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide

3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide (PubChem CID 29097735) has the molecular formula C16H20N8O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
PubChem CID29097735
Molecular FormulaC16H20N8O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Name3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
SMILESCCn1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccn(CC)n2)n1
InChIInChI=1S/C16H20N8O2/c1-4-23-8-6-12(19-23)17-15(25)11-10-22(3)21-14(11)16(26)18-13-7-9-24(5-2)20-13/h6-10H,4-5H2,1-3H3,(H,17,19,25)(H,18,20,26)
InChIKeyFMDDYPCXUWHMMA-UHFFFAOYSA-N
XLogP1.36
TPSA111.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1-ethylpyrazol-3-yl)-2,3-dihydroxybenzamide
CID 114251339
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333
4-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498683
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607
3-amino-N-(1-ethylpyrazol-3-yl)-2-methylbenzamide
CID 114251301
2-chloro-N-(1-ethylpyrazol-3-yl)-4,5-difluorobenzamide
CID 35286238
5-chloro-N-(1-ethylpyrazol-3-yl)-2-methoxybenzamide
CID 35286166
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498642
4-iodo-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19264112
4-chloro-1-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 1223563
6-amino-3-chloro-N-(1-ethylpyrazol-3-yl)pyridine-2-carboxamide
CID 114252338
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
The IUPAC name of 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide (CID 29097735) is 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide.
What is the SMILES notation for 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
The canonical SMILES for 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide is CCn1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccn(CC)n2)n1.
What is the InChIKey of 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
The InChIKey is FMDDYPCXUWHMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O2/c1-4-23-8-6-12(19-23)17-15(25)11-10-22(3)21-14(11)16(26)18-13-7-9-24(5-2)20-13/h6-10H,4-5H2,1-3H3,(H,17,19,25)(H,18,20,26).
What are the key properties of 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide?
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide has a molecular weight of 356.39 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).