4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide

C15H26N4O — CID 66125408

IUPAC4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NC1CCCCCCC1
InChIInChI=1S/C15H26N4O/c1-3-19-14(13(16)11(2)18-19)15(20)17-12-9-7-5-4-6-8-10-12/h12H,3-10,16H2,1-2H3,(H,17,20)
InChIKeySRUXHCCMXVSYPI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds3

About 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide

4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide (PubChem CID 66125408) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide
PubChem CID66125408
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)NC1CCCCCCC1
InChIInChI=1S/C15H26N4O/c1-3-19-14(13(16)11(2)18-19)15(20)17-12-9-7-5-4-6-8-10-12/h12H,3-10,16H2,1-2H3,(H,17,20)
InChIKeySRUXHCCMXVSYPI-UHFFFAOYSA-N
XLogP2.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-cyclobutyl-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66124672
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CID 66124433
4-amino-1-ethyl-N-[(1S,2S)-2-hydroxycyclohexyl]-3-methylpyrazole-5-carboxamide
CID 107211287
4-amino-1-ethyl-3-methyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-5-carboxamide
CID 79352013
4-amino-1-ethyl-N-(3-ethyl-2-methylcyclopentyl)-3-methylpyrazole-5-carboxamide
CID 66123520
cycloheptyl 4-amino-1-ethyl-3-methylpyrazole-5-carboxylate
CID 66124109
5-amino-N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 117215420
4-amino-N-(1-cyclopropylpropan-2-yl)-1-ethyl-3-methylpyrazole-5-carboxamide
CID 66123131
4-amino-1-ethyl-3-methyl-N-(thiolan-2-ylmethyl)pyrazole-5-carboxamide
CID 80585058
4-amino-1-ethyl-N-hexyl-3-methylpyrazole-5-carboxamide
CID 66124652
4-amino-1-ethyl-3-methyl-N-(3-propoxypropyl)pyrazole-5-carboxamide
CID 82950007
4-amino-1-ethyl-3-methyl-N-(2-piperidin-1-ylpropyl)pyrazole-5-carboxamide
CID 66125626

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide (CID 66125408) is 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)NC1CCCCCCC1.
What is the InChIKey of 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide?
The InChIKey is SRUXHCCMXVSYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-3-19-14(13(16)11(2)18-19)15(20)17-12-9-7-5-4-6-8-10-12/h12H,3-10,16H2,1-2H3,(H,17,20).
What are the key properties of 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide?
4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-cyclooctyl-1-ethyl-3-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66125408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).