4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide

C10H15N3O — CID 53017443

IUPAC4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CCCCCC2
InChIInChI=1S/C10H15N3O/c11-10(14)9-7-5-3-1-2-4-6-8(7)12-13-9/h1-6H2,(H2,11,14)(H,12,13)
InChIKeyAKEVGEUAHFBEFV-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.17
Rot. Bonds1

About 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide

4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide (PubChem CID 53017443) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
PubChem CID53017443
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide
SMILESNC(=O)c1n[nH]c2c1CCCCCC2
InChIInChI=1S/C10H15N3O/c11-10(14)9-7-5-3-1-2-4-6-8(7)12-13-9/h1-6H2,(H2,11,14)(H,12,13)
InChIKeyAKEVGEUAHFBEFV-UHFFFAOYSA-N
XLogP1.17
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2202791
5-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 2874138
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
4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 28358792
4,5,6,7-tetrahydro-1H-indazole-3-carbaldehyde
CID 28808664
1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
CID 45121258
5-propyl-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 25163411
N'-cyclohexylidene-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 820016
1,4,5,6-Tetrahydrocyclopenta[c]pyrazole-3-carbohydrazide
CID 776841

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
The IUPAC name of 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide (CID 53017443) is 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide.
What is the SMILES notation for 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
The canonical SMILES for 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide is NC(=O)c1n[nH]c2c1CCCCCC2.
What is the InChIKey of 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
The InChIKey is AKEVGEUAHFBEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-10(14)9-7-5-3-1-2-4-6-8(7)12-13-9/h1-6H2,(H2,11,14)(H,12,13).
What are the key properties of 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide?
4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide has a molecular weight of 193.25 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 53017443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).