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

C12H16N4O — CID 820020

IUPACN-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NN=C1CCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H16N4O/c17-12(16-13-8-4-1-2-5-8)11-9-6-3-7-10(9)14-15-11/h1-7H2,(H,14,15)(H,16,17)
InChIKeyNWFDQDLNMQULTG-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.56
Rot. Bonds2

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

N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 820020) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID820020
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC NameN-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESO=C(NN=C1CCCC1)c1n[nH]c2c1CCC2
InChIInChI=1S/C12H16N4O/c17-12(16-13-8-4-1-2-5-8)11-9-6-3-7-10(9)14-15-11/h1-7H2,(H,14,15)(H,16,17)
InChIKeyNWFDQDLNMQULTG-UHFFFAOYSA-N
XLogP1.56
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.56
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-(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
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
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 N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 820020) is N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is O=C(NN=C1CCCC1)c1n[nH]c2c1CCC2.
What is the InChIKey of N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is NWFDQDLNMQULTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c17-12(16-13-8-4-1-2-5-8)11-9-6-3-7-10(9)14-15-11/h1-7H2,(H,14,15)(H,16,17).
What are the key properties of N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 820020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).