N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C11H16N4O — CID 872955

IUPACN-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCC(C)=NNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H16N4O/c1-3-7(2)12-15-11(16)10-8-5-4-6-9(8)13-14-10/h3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLVPVQFOKGXIACA-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.41
Rot. Bonds3

About N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 872955) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID872955
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCCC(C)=NNC(=O)c1n[nH]c2c1CCC2
InChIInChI=1S/C11H16N4O/c1-3-7(2)12-15-11(16)10-8-5-4-6-9(8)13-14-10/h3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyLVPVQFOKGXIACA-UHFFFAOYSA-N
XLogP1.41
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.41
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

N-(1-phenylpropylideneamino)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 3455772
N-[1-(4-fluorophenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 3975451
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 5405927
N-[(Z)-1-(furan-2-yl)ethylideneamino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 6052947
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(2-ethyl-2-hydroxybutyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111483508
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 124843448
N-(2-amino-2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide;hydrochloride
CID 119625986
N-(3-hydroxypropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110898774
N-[(2S)-butan-2-yl]-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
CID 97046545
N-(2-ethyl-2-hydroxybutyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111483509
N-[2-(cyclopropanecarbonylamino)ethyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 78880342

Frequently Asked Questions

What is the IUPAC name of N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 872955) is N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CCC(C)=NNC(=O)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is LVPVQFOKGXIACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-3-7(2)12-15-11(16)10-8-5-4-6-9(8)13-14-10/h3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-ylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 872955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).