N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C16H25N5O — CID 820024

IUPACN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC1(C)CC(=NNC(=O)c2n[nH]c3c2CCC3)CC(C)(C)N1
InChIInChI=1S/C16H25N5O/c1-15(2)8-10(9-16(3,4)21-15)17-20-14(22)13-11-6-5-7-12(11)18-19-13/h21H,5-9H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyISHMLBFZXDRYDP-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.92
Rot. Bonds2

About N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 820024) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID820024
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCC1(C)CC(=NNC(=O)c2n[nH]c3c2CCC3)CC(C)(C)N1
InChIInChI=1S/C16H25N5O/c1-15(2)8-10(9-16(3,4)21-15)17-20-14(22)13-11-6-5-7-12(11)18-19-13/h21H,5-9H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyISHMLBFZXDRYDP-UHFFFAOYSA-N
XLogP1.92
TPSA82.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-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
2,2,6,6-tetramethyl-4-(2-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)hydrazono)piperidinium
CID 801131
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
(6S)-2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 96365393
3,3-Dimethyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazin-2-one
CID 100678674
N-(cyclohex-1-en-1-ylmethyl)-2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide
CID 119061793
N-(1-fluoro-2-methylpropan-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
CID 123490197

Frequently Asked Questions

What is the IUPAC name of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 820024) is N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is CC1(C)CC(=NNC(=O)c2n[nH]c3c2CCC3)CC(C)(C)N1.
What is the InChIKey of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is ISHMLBFZXDRYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-15(2)8-10(9-16(3,4)21-15)17-20-14(22)13-11-6-5-7-12(11)18-19-13/h21H,5-9H2,1-4H3,(H,18,19)(H,20,22).
What are the key properties of N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 820024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).