N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C13H18N4O — CID 820016

IUPACN-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NN=C1CCCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H18N4O/c18-13(17-14-9-5-2-1-3-6-9)12-10-7-4-8-11(10)15-16-12/h1-8H2,(H,15,16)(H,17,18)
InChIKeyARGPXVCXXCPFLV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.95
Rot. Bonds2

About N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 820016) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID820016
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NN=C1CCCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C13H18N4O/c18-13(17-14-9-5-2-1-3-6-9)12-10-7-4-8-11(10)15-16-12/h1-8H2,(H,15,16)(H,17,18)
InChIKeyARGPXVCXXCPFLV-UHFFFAOYSA-N
XLogP1.95
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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
5-cyclohexyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25161469
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
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 776841
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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 820016) is N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NN=C1CCCCC1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ARGPXVCXXCPFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c18-13(17-14-9-5-2-1-3-6-9)12-10-7-4-8-11(10)15-16-12/h1-8H2,(H,15,16)(H,17,18).
What are the key properties of N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 820016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).