N-cycloheptyl-2-ethylpyrazole-3-carboxamide

C13H21N3O — CID 841517

IUPACN-cycloheptyl-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-12(9-10-14-16)13(17)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyVSCNZTUBNYRHQO-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.36
Rot. Bonds3

About N-cycloheptyl-2-ethylpyrazole-3-carboxamide

N-cycloheptyl-2-ethylpyrazole-3-carboxamide (PubChem CID 841517) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-cycloheptyl-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-ethylpyrazole-3-carboxamide
PubChem CID841517
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-cycloheptyl-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)NC1CCCCCC1
InChIInChI=1S/C13H21N3O/c1-2-16-12(9-10-14-16)13(17)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyVSCNZTUBNYRHQO-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclohexyl-1-methyl-1H-pyrazole-5-carboxamide
CID 750357
4-bromo-N-cycloheptyl-1-methylpyrazole-3-carboxamide
CID 903382
1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
4-bromo-N-cyclooctyl-1-ethyl-1H-pyrazole-5-carboxamide
CID 831883
4-bromo-N-cyclooctyl-1-methyl-1H-pyrazole-5-carboxamide
CID 844722
4-bromo-N-cycloheptyl-1-methyl-1H-pyrazole-5-carboxamide
CID 903183
N-(2-cyano-1-cyclopenten-1-yl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841930
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
4-chloro-N-cycloheptyl-1-methyl-1H-pyrazole-3-carboxamide
CID 892375
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-2-ethylpyrazole-3-carboxamide (CID 841517) is N-cycloheptyl-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-ethylpyrazole-3-carboxamide?
The InChIKey is VSCNZTUBNYRHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-12(9-10-14-16)13(17)15-11-7-5-3-4-6-8-11/h9-11H,2-8H2,1H3,(H,15,17).
What are the key properties of N-cycloheptyl-2-ethylpyrazole-3-carboxamide?
N-cycloheptyl-2-ethylpyrazole-3-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 841517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).