1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide

C16H22N8O4 — CID 3689609

IUPAC1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C16H22N8O4/c1-9-7-11(19-17-9)15(27)23-21-13(25)5-3-4-6-14(26)22-24-16(28)12-8-10(2)18-20-12/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyPNPKTABRPYDDGB-UHFFFAOYSA-N
MW390.40 g/mol
LogP-0.47
Rot. Bonds7

About 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide

1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide (PubChem CID 3689609) has the molecular formula C16H22N8O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide.

Molecular Properties

Compound Name1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide
PubChem CID3689609
Molecular FormulaC16H22N8O4
Molecular Weight390.40 g/mol
Exact Mass390.18
IUPAC Name1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C16H22N8O4/c1-9-7-11(19-17-9)15(27)23-21-13(25)5-3-4-6-14(26)22-24-16(28)12-8-10(2)18-20-12/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)(H,21,25)(H,22,26)(H,23,27)(H,24,28)
InChIKeyPNPKTABRPYDDGB-UHFFFAOYSA-N
XLogP-0.47
TPSA173.76 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.40
LogP ≤ 5-0.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1H-pyrazole-5-carbohydrazide
CID 737234
3-Methyl-1H-pyrazole-5-carboxamide
CID 15920410
3-methyl-N'-(1,2,2-trimethylpropylidene)-1H-pyrazole-5-carbohydrazide
CID 5411186
N'-(2-ethylcyclopentylidene)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 11839029
1h-Pyrazole-3,5-dicarbohydrazide
CID 91044122
5,5'-Dimethyl-N,N'-(iminodiethylene)di-1H-pyrazole-3-carboxamide
CID 139073558
3,5-dimethyl-1-(3-methyl-1H-pyrazole-5-carbonyl)-1H-pyrazole
CID 676324
N-(3,3-dimethylbutan-2-ylideneamino)-5-methyl-1H-pyrazole-3-carboxamide
CID 833270
N'-(cyclohexylcarbonyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 833283
N'-(cyclopropylcarbonyl)-3-methyl-1H-pyrazole-5-carbohydrazide
CID 968944
3-methyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 968945
4-[2-(5-methyl-1H-pyrazole-3-carbonyl)hydrazinyl]-4-oxobutanoate
CID 1790115

Frequently Asked Questions

What is the IUPAC name of 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide?
The IUPAC name of 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide (CID 3689609) is 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide.
What is the SMILES notation for 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide?
The canonical SMILES for 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide is Cc1cc(C(=O)NNC(=O)CCCCC(=O)NNC(=O)c2cc(C)[nH]n2)n[nH]1.
What is the InChIKey of 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide?
The InChIKey is PNPKTABRPYDDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N8O4/c1-9-7-11(19-17-9)15(27)23-21-13(25)5-3-4-6-14(26)22-24-16(28)12-8-10(2)18-20-12/h7-8H,3-6H2,1-2H3,(H,17,19)(H,18,20)(H,21,25)(H,22,26)(H,23,27)(H,24,28).
What are the key properties of 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide?
1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide has a molecular weight of 390.40 g/mol, XLogP of -0.47, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',6-N'-bis(5-methyl-1H-pyrazole-3-carbonyl)hexanedihydrazide is sourced from PubChem (CID 3689609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).