4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide

C14H24N4O — CID 854804

IUPAC4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2c1CCCCCCCCCC2
InChIInChI=1S/C14H24N4O/c15-16-14(19)13-11-9-7-5-3-1-2-4-6-8-10-12(11)17-18-13/h1-10,15H2,(H,16,19)(H,17,18)
InChIKeyMVNCAGATRLZCGQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.23
Rot. Bonds1

About 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide

4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide (PubChem CID 854804) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide
PubChem CID854804
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2c1CCCCCCCCCC2
InChIInChI=1S/C14H24N4O/c15-16-14(19)13-11-9-7-5-3-1-2-4-6-8-10-12(11)17-18-13/h1-10,15H2,(H,16,19)(H,17,18)
InChIKeyMVNCAGATRLZCGQ-UHFFFAOYSA-N
XLogP2.23
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2202791
5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2874138
N'-cyclopentylidene-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820020
N-(cyclopentylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 820033
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25161469
3-tert-butyl-1H-pyrazole-5-carbohydrazide
CID 718956
2,2,6,6-tetramethyl-4-(2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazono)piperidinium
CID 801131
N'-(2,2,6,6-tetramethyl-4-piperidinylidene)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820024
4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28358792
1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 45121258
5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25163411
N'-cyclohexylidene-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820016

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide?
The IUPAC name of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide (CID 854804) is 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide?
The canonical SMILES for 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide is NNC(=O)c1n[nH]c2c1CCCCCCCCCC2.
What is the InChIKey of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide?
The InChIKey is MVNCAGATRLZCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c15-16-14(19)13-11-9-7-5-3-1-2-4-6-8-10-12(11)17-18-13/h1-10,15H2,(H,16,19)(H,17,18).
What are the key properties of 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide?
4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide has a molecular weight of 264.37 g/mol, XLogP of 2.23, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 854804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).