1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide

C7H10N4O — CID 776841

IUPAC1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C7H10N4O/c8-9-7(12)6-4-2-1-3-5(4)10-11-6/h1-3,8H2,(H,9,12)(H,10,11)
InChIKeySVCCSHLJCQVHGW-UHFFFAOYSA-N
MW166.18 g/mol
LogP-0.50
Rot. Bonds1

About 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide

1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide (PubChem CID 776841) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide.

Molecular Properties

Compound Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide
PubChem CID776841
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide
SMILESNNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C7H10N4O/c8-9-7(12)6-4-2-1-3-5(4)10-11-6/h1-3,8H2,(H,9,12)(H,10,11)
InChIKeySVCCSHLJCQVHGW-UHFFFAOYSA-N
XLogP-0.50
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 5-0.50
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'}

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Related Compounds

4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2202791
N-methyl-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 44229278
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
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
N'-cyclohexylidene-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820016
4,5,6,7,8,9,10,11,12,13-decahydro-1H-cyclododeca[c]pyrazole-3-carbohydrazide
CID 854804
N-[1-(aminomethyl)cyclopentyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 75513734
4,5-bis(3,3,3-trifluoropropyl)-1H-pyrazole-3-carboxamide
CID 141430246
4-(3-amino-3-fluorobutyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 145225159

Frequently Asked Questions

What is the IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide?
The IUPAC name of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide (CID 776841) is 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide.
What is the SMILES notation for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide?
The canonical SMILES for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide is NNC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide?
The InChIKey is SVCCSHLJCQVHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c8-9-7(12)6-4-2-1-3-5(4)10-11-6/h1-3,8H2,(H,9,12)(H,10,11).
What are the key properties of 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide?
1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide has a molecular weight of 166.18 g/mol, XLogP of -0.50, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbohydrazide is sourced from PubChem (CID 776841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).